CID 984661

1-((4-bromophenyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile

Structural Information

Molecular Formula
C19H13BrN4
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC4=CC=C(C=C4)Br)C#N
InChI
InChI=1S/C19H13BrN4/c1-12-10-18(22-14-8-6-13(20)7-9-14)24-17-5-3-2-4-16(17)23-19(24)15(12)11-21/h2-10,22H,1H3
InChIKey
HKWSHGTTXLMGTQ-UHFFFAOYSA-N
Compound name
1-(4-bromoanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.03235 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.03963 184.0
[M+Na]+ 399.02157 199.7
[M-H]- 375.02507 189.3
[M+NH4]+ 394.06617 198.7
[M+K]+ 414.99551 182.9
[M+H-H2O]+ 359.02961 174.3
[M+HCOO]- 421.03055 202.2
[M+CH3COO]- 435.04620 194.9
[M+Na-2H]- 397.00702 189.2
[M]+ 376.03180 197.3
[M]- 376.03290 197.3
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.