PubChemLite - 172985-42-1 (C30H24N2O5)

Structural Information

Molecular Formula

SMILES

CC1(CC2=C(CO1)C(=NC3=C2C(=C(O3)C(=O)C4=CC=CC=C4)NC(=O)C5=CC=CO5)C6=CC=CC=C6)C

InChI

InChI=1S/C30H24N2O5/c1-30(2)16-20-21(17-36-30)24(18-10-5-3-6-11-18)32-29-23(20)25(31-28(34)22-14-9-15-35-22)27(37-29)26(33)19-12-7-4-8-13-19/h3-15H,16-17H2,1-2H3,(H,31,34)

InChIKey

VYYNETUEBKKUJL-UHFFFAOYSA-N

Compound name

N-(4-benzoyl-12,12-dimethyl-8-phenyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-3-yl)furan-2-carboxamide

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]+	493.17580	218.0
[M+Na]+	515.15774	225.6
[M-H]-	491.16124	233.9
[M+NH4]+	510.20234	225.8
[M+K]+	531.13168	223.9
[M+H-H2O]+	475.16578	208.7
[M+HCOO]-	537.16672	234.5
[M+CH3COO]-	551.18237	227.1
[M+Na-2H]-	513.14319	217.8
[M]+	492.16797	223.0
[M]-	492.16907	223.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.17580

218.0

[M+Na]+

515.15774

225.6

[M-H]-

491.16124

233.9

[M+NH4]+

510.20234

225.8

[M+K]+

531.13168

223.9

[M+H-H2O]+

475.16578

208.7

[M+HCOO]-

537.16672

234.5

[M+CH3COO]-

551.18237

227.1

[M+Na-2H]-

513.14319

217.8

[M]+

492.16797

223.0

[M]-

492.16907

223.0

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

172985-42-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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