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]+ 347.10578 188.1
[M+Na]+ 369.08772 203.0
[M-H]- 345.09122 192.4
[M+NH4]+ 364.13232 201.7
[M+K]+ 385.06166 191.2
[M+H-H2O]+ 329.09576 172.5
[M+HCOO]- 391.09670 201.9
[M+CH3COO]- 405.11235 197.6
[M+Na-2H]- 367.07317 191.0
[M]+ 346.09795 187.5
[M]- 346.09905 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.