CID 73249

19206-90-7

Structural Information

Molecular Formula
C13H13N5
SMILES
CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3N2)C
InChI
InChI=1S/C13H13N5/c1-8-7-9(2)15-12(14-8)18-13-16-10-5-3-4-6-11(10)17-13/h3-7H,1-2H3,(H2,14,15,16,17,18)
InChIKey
IHAVBFULRWYABW-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

239.1171 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12438 153.9
[M+Na]+ 262.10632 165.1
[M-H]- 238.10982 156.2
[M+NH4]+ 257.15092 168.4
[M+K]+ 278.08026 158.6
[M+H-H2O]+ 222.11436 144.4
[M+HCOO]- 284.11530 174.8
[M+CH3COO]- 298.13095 165.8
[M+Na-2H]- 260.09177 161.7
[M]+ 239.11655 154.5
[M]- 239.11765 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.