CID 162345401

Ns00133024

Structural Information

Molecular Formula
C14H13N3
SMILES
CC1=CC(=NC2=NC3=CC=CC=C3N12)C4CC4
InChI
InChI=1S/C14H13N3/c1-9-8-12(10-6-7-10)16-14-15-11-4-2-3-5-13(11)17(9)14/h2-5,8,10H,6-7H2,1H3
InChIKey
PFXOQPPJYKBYHE-UHFFFAOYSA-N
Compound name
2-cyclopropyl-4-methylpyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11095 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.118226 158.5
[M+Na]+ 246.100168 172.2
[M-H]- 222.103674 164.2
[M+NH4]+ 241.144773 172.2
[M+K]+ 262.074108 165.2
[M+H-H2O]+ 206.108210 149.7
[M+HCOO]- 268.109151 179.5
[M+CH3COO]- 282.124801 171.0
[M+Na-2H]- 244.085616 165.0
[M]+ 223.11040142 162.9
[M]- 223.11149858 162.9
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.