CID 910579

Pyrimido(1,2-a)benzimidazol-5-ium, 2,4,10-trimethyl-, perchlorate

Structural Information

Molecular Formula
C13H14N3
SMILES
CC1=CC(=NC2=[N+](C3=CC=CC=C3N12)C)C
InChI
InChI=1S/C13H14N3/c1-9-8-10(2)16-12-7-5-4-6-11(12)15(3)13(16)14-9/h4-8H,1-3H3/q+1
InChIKey
BABBAHUUIACZNI-UHFFFAOYSA-N
Compound name
2,4,10-trimethylpyrimido[1,2-a]benzimidazol-10-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11877 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12605 148.3
[M+Na]+ 235.10799 161.4
[M-H]- 211.11149 151.5
[M+NH4]+ 230.15259 167.7
[M+K]+ 251.08193 151.0
[M+H-H2O]+ 195.11603 143.1
[M+HCOO]- 257.11697 169.1
[M+CH3COO]- 271.13262 184.4
[M+Na-2H]- 233.09344 158.1
[M]+ 212.11822 151.2
[M]- 212.11932 151.2
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.