CID 703057

1-(3-chloro-4-methylanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

Structural Information

Molecular Formula
C20H15ClN4
SMILES
CC1=C(C=C(C=C1)NC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C)Cl
InChI
InChI=1S/C20H15ClN4/c1-12-7-8-14(10-16(12)21)23-19-9-13(2)15(11-22)20-24-17-5-3-4-6-18(17)25(19)20/h3-10,23H,1-2H3
InChIKey
CWLKKLOLEONGGF-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

346.0985 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.105776 188.1
[M+Na]+ 369.087718 203.0
[M-H]- 345.091224 192.4
[M+NH4]+ 364.132323 201.7
[M+K]+ 385.061658 191.2
[M+H-H2O]+ 329.095760 172.5
[M+HCOO]- 391.096701 201.9
[M+CH3COO]- 405.112351 197.6
[M+Na-2H]- 367.073166 191.0
[M]+ 346.09795142 187.5
[M]- 346.09904858 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.