CID 393008

Nsc694259

Structural Information

Molecular Formula
C24H20N5
SMILES
C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCCC5=CC=CC=N5)C#N
InChI
InChI=1S/C24H19N5/c1-28-21-11-4-5-12-22(21)29-20-10-3-2-9-18(20)23(19(16-25)24(28)29)27-15-13-17-8-6-7-14-26-17/h2-12,14H,13,15H2,1H3/p+1
InChIKey
VITOMBCKWJVAOG-UHFFFAOYSA-O
Compound name
7-methyl-5-(2-pyridin-2-ylethylamino)benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.17188 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17916 200.9
[M+Na]+ 401.16110 213.5
[M-H]- 377.16460 204.0
[M+NH4]+ 396.20570 210.7
[M+K]+ 417.13504 195.7
[M+H-H2O]+ 361.16914 184.9
[M+HCOO]- 423.17008 216.2
[M+CH3COO]- 437.18573 208.0
[M+Na-2H]- 399.14655 207.9
[M]+ 378.17133 197.9
[M]- 378.17243 197.9
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.