CID 393015

Nsc694263

Structural Information

Molecular Formula
C25H21N4O2
SMILES
C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NC5=CC(=C(C=C5)OC)OC)C#N
InChI
InChI=1S/C25H20N4O2/c1-28-20-10-6-7-11-21(20)29-19-9-5-4-8-17(19)24(18(15-26)25(28)29)27-16-12-13-22(30-2)23(14-16)31-3/h4-14H,1-3H3/p+1
InChIKey
GUNVYRPYQJVVGS-UHFFFAOYSA-O
Compound name
5-(3,4-dimethoxyanilino)-7-methylbenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.16644 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17372 210.8
[M+Na]+ 432.15566 224.2
[M-H]- 408.15916 215.9
[M+NH4]+ 427.20026 221.1
[M+K]+ 448.12960 207.9
[M+H-H2O]+ 392.16370 195.7
[M+HCOO]- 454.16464 227.2
[M+CH3COO]- 468.18029 218.4
[M+Na-2H]- 430.14111 216.0
[M]+ 409.16589 210.7
[M]- 409.16699 210.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.