PubChemLite - Nsc690633 (C30H24N6O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C30H24N6O4/c37-35(38)25-15-7-13-23-27(25)29(19-9-1-3-11-21(19)33-23)31-17-5-6-18-32-30-20-10-2-4-12-22(20)34-24-14-8-16-26(28(24)30)36(39)40/h1-4,7-16H,5-6,17-18H2,(H,31,33)(H,32,34)

InChIKey

FGUMIPRKPHUGLM-UHFFFAOYSA-N

Compound name

N,N'-bis(1-nitroacridin-9-yl)butane-1,4-diamine

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]+	533.19318	215.7
[M+Na]+	555.17512	217.2
[M-H]-	531.17862	221.7
[M+NH4]+	550.21972	217.6
[M+K]+	571.14906	202.3
[M+H-H2O]+	515.18316	208.8
[M+HCOO]-	577.18410	233.7
[M+CH3COO]-	591.19975	244.7
[M+Na-2H]-	553.16057	230.3
[M]+	532.18535	214.9
[M]-	532.18645	214.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.19318

215.7

[M+Na]+

555.17512

217.2

[M-H]-

531.17862

221.7

[M+NH4]+

550.21972

217.6

[M+K]+

571.14906

202.3

[M+H-H2O]+

515.18316

208.8

[M+HCOO]-

577.18410

233.7

[M+CH3COO]-

591.19975

244.7

[M+Na-2H]-

553.16057

230.3

[M]+

532.18535

214.9

[M]-

532.18645

214.9

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

Nsc690633

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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