PubChemLite - Nsc299111 (C30H26N6O2)

Structural Information

Molecular Formula

SMILES

CCOC1=CC2=C(C3=C(C=C(C=C3)N=NC4=CC5=C(C=C4)C(=C6C=C(C=CC6=N5)OCC)N)N=C2C=C1)N

InChI

InChI=1S/C30H26N6O2/c1-3-37-19-7-11-25-23(15-19)29(31)21-9-5-17(13-27(21)33-25)35-36-18-6-10-22-28(14-18)34-26-12-8-20(38-4-2)16-24(26)30(22)32/h5-16H,3-4H2,1-2H3,(H2,31,33)(H2,32,34)

InChIKey

IBPOFAUCWPFRGJ-UHFFFAOYSA-N

Compound name

6-[(9-amino-7-ethoxyacridin-3-yl)diazenyl]-2-ethoxyacridin-9-amine

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]+	503.21901	223.1
[M+Na]+	525.20095	233.0
[M-H]-	501.20445	232.6
[M+NH4]+	520.24555	230.4
[M+K]+	541.17489	225.8
[M+H-H2O]+	485.20899	208.4
[M+HCOO]-	547.20993	245.2
[M+CH3COO]-	561.22558	230.9
[M+Na-2H]-	523.18640	232.4
[M]+	502.21118	229.3
[M]-	502.21228	229.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.21901

223.1

[M+Na]+

525.20095

233.0

[M-H]-

501.20445

232.6

[M+NH4]+

520.24555

230.4

[M+K]+

541.17489

225.8

[M+H-H2O]+

485.20899

208.4

[M+HCOO]-

547.20993

245.2

[M+CH3COO]-

561.22558

230.9

[M+Na-2H]-

523.18640

232.4

[M]+

502.21118

229.3

[M]-

502.21228

229.3

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

Nsc299111

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe