CID 388459

Nsc683389

Structural Information

Molecular Formula
C13H15N3
SMILES
CC1=NC2=NC3=CC=CC=C3N2C(C1)(C)C
InChI
InChI=1S/C13H15N3/c1-9-8-13(2,3)16-11-7-5-4-6-10(11)15-12(16)14-9/h4-7H,8H2,1-3H3
InChIKey
KBQJJTHWGPYOTC-UHFFFAOYSA-N
Compound name
2,4,4-trimethyl-3H-pyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.1266 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.13388 147.9
[M+Na]+ 236.11582 160.4
[M-H]- 212.11932 150.4
[M+NH4]+ 231.16042 169.3
[M+K]+ 252.08976 155.6
[M+H-H2O]+ 196.12386 139.8
[M+HCOO]- 258.12480 167.7
[M+CH3COO]- 272.14045 161.4
[M+Na-2H]- 234.10127 155.9
[M]+ 213.12605 150.5
[M]- 213.12715 150.5
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.