PubChemLite - Benzamide, n-[5,8,13,14-tetrahydro-5,8,14-trioxo-11-(trifluoromethyl)naphth[2,3-c]acridin-6-yl]- (C29H15F3N2O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=C4C(=C2)C(=O)C5=C(N4)C=C(C=C5)C(F)(F)F)C(=O)C6=CC=CC=C6C3=O

InChI

InChI=1S/C29H15F3N2O4/c30-29(31,32)15-10-11-18-20(12-15)33-24-19(25(18)35)13-21(34-28(38)14-6-2-1-3-7-14)22-23(24)27(37)17-9-5-4-8-16(17)26(22)36/h1-13H,(H,33,35)(H,34,38)

InChIKey

JFNJYBPWYDSPLH-UHFFFAOYSA-N

Compound name

N-[5,8,14-trioxo-11-(trifluoromethyl)-13H-naphtho[2,3-c]acridin-6-yl]benzamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	513.10568	222.3
[M+Na]+	535.08762	232.7
[M-H]-	511.09112	226.4
[M+NH4]+	530.13222	229.4
[M+K]+	551.06156	223.9
[M+H-H2O]+	495.09566	207.6
[M+HCOO]-	557.09660	232.3
[M+CH3COO]-	571.11225	228.5
[M+Na-2H]-	533.07307	226.7
[M]+	512.09785	220.4
[M]-	512.09895	220.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.10568

222.3

[M+Na]+

535.08762

232.7

[M-H]-

511.09112

226.4

[M+NH4]+

530.13222

229.4

[M+K]+

551.06156

223.9

[M+H-H2O]+

495.09566

207.6

[M+HCOO]-

557.09660

232.3

[M+CH3COO]-

571.11225

228.5

[M+Na-2H]-

533.07307

226.7

[M]+

512.09785

220.4

[M]-

512.09895

220.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Benzamide, n-[5,8,13,14-tetrahydro-5,8,14-trioxo-11-(trifluoromethyl)naphth[2,3-c]acridin-6-yl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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