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 167.3
[M+Na]+ 318.07684 185.8
[M+NH4]+ 313.12144 177.2
[M+K]+ 334.05078 177.4
[M-H]- 294.08034 172.1
[M+Na-2H]- 316.06229 176.1
[M]+ 295.08707 171.9
[M]- 295.08817 171.9
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.