CID 393023

Nsc694268

Structural Information

Molecular Formula
C23H21N6
SMILES
C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCCCN5C=CN=C5)C#N
InChI
InChI=1S/C23H20N6/c1-27-20-9-4-5-10-21(20)29-19-8-3-2-7-17(19)22(18(15-24)23(27)29)26-11-6-13-28-14-12-25-16-28/h2-5,7-10,12,14,16H,6,11,13H2,1H3/p+1
InChIKey
YMIJYKRRKAVEFG-UHFFFAOYSA-O
Compound name
5-(3-imidazol-1-ylpropylamino)-7-methylbenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.18277 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19005 197.0
[M+Na]+ 404.17199 209.5
[M-H]- 380.17549 199.3
[M+NH4]+ 399.21659 207.2
[M+K]+ 420.14593 192.6
[M+H-H2O]+ 364.18003 181.1
[M+HCOO]- 426.18097 212.3
[M+CH3COO]- 440.19662 204.3
[M+Na-2H]- 402.15744 202.0
[M]+ 381.18222 195.1
[M]- 381.18332 195.1
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.