CID 3074966

169132-72-3

Structural Information

Molecular Formula
C17H14ClN3
SMILES
CC1=CC(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H14ClN3/c1-11-10-16(12-6-8-13(18)9-7-12)21-15-5-3-2-4-14(15)20-17(21)19-11/h2-10,16H,1H3,(H,19,20)
InChIKey
CCZUUHZCSDUXSS-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.08762 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09490 168.1
[M+Na]+ 318.07684 180.2
[M-H]- 294.08034 171.8
[M+NH4]+ 313.12144 183.7
[M+K]+ 334.05078 171.2
[M+H-H2O]+ 278.08488 158.8
[M+HCOO]- 340.08582 181.4
[M+CH3COO]- 354.10147 179.3
[M+Na-2H]- 316.06229 173.3
[M]+ 295.08707 169.8
[M]- 295.08817 169.8
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.