CID 3074969

1,4-dihydro-2-(4-bromophenyl)-4-phenylpyrimido(1,2-a)benzimidazole

Structural Information

Molecular Formula
C22H16BrN3
SMILES
C1=CC=C(C=C1)C2C=C(NC3=NC4=CC=CC=C4N23)C5=CC=C(C=C5)Br
InChI
InChI=1S/C22H16BrN3/c23-17-12-10-15(11-13-17)19-14-21(16-6-2-1-3-7-16)26-20-9-5-4-8-18(20)24-22(26)25-19/h1-14,21H,(H,24,25)
InChIKey
NKRIASDAEXTZRX-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-4-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

401.05276 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.06004 190.7
[M+Na]+ 424.04198 202.8
[M-H]- 400.04548 199.7
[M+NH4]+ 419.08658 204.3
[M+K]+ 440.01592 188.0
[M+H-H2O]+ 384.05002 187.5
[M+HCOO]- 446.05096 206.0
[M+CH3COO]- 460.06661 201.9
[M+Na-2H]- 422.02743 196.3
[M]+ 401.05221 207.6
[M]- 401.05331 207.6
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

patents stripe