CID 388457

Nsc683387

Structural Information

Molecular Formula
C17H17N3
SMILES
CC1CC(NC2=NC3=CC=CC=C3N12)C4=CC=CC=C4
InChI
InChI=1S/C17H17N3/c1-12-11-15(13-7-3-2-4-8-13)19-17-18-14-9-5-6-10-16(14)20(12)17/h2-10,12,15H,11H2,1H3,(H,18,19)
InChIKey
VAGIBOBEIYQCAC-UHFFFAOYSA-N
Compound name
4-methyl-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14224 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14952 161.7
[M+Na]+ 286.13146 171.1
[M-H]- 262.13496 165.0
[M+NH4]+ 281.17606 177.4
[M+K]+ 302.10540 163.7
[M+H-H2O]+ 246.13950 152.0
[M+HCOO]- 308.14044 178.3
[M+CH3COO]- 322.15609 172.6
[M+Na-2H]- 284.11691 167.3
[M]+ 263.14169 159.4
[M]- 263.14279 159.4
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.