CID 3079205

1h-benzimidazole-2,5-diamine, n(sup 2)-(4,6-dimethyl-2-pyrimidinyl)-, hydrochloride, hydrate (2:4:1)

Structural Information

Molecular Formula
C13H14N6
SMILES
CC1=CC(=NC(=N1)NC2=NC3=C(N2)C=C(C=C3)N)C
InChI
InChI=1S/C13H14N6/c1-7-5-8(2)16-12(15-7)19-13-17-10-4-3-9(14)6-11(10)18-13/h3-6H,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKey
SQJUFZDIVFRBRM-UHFFFAOYSA-N
Compound name
2-N-(4,6-dimethylpyrimidin-2-yl)-3H-benzimidazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12799 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13527 158.1
[M+Na]+ 277.11721 169.4
[M-H]- 253.12071 160.5
[M+NH4]+ 272.16181 171.8
[M+K]+ 293.09115 162.6
[M+H-H2O]+ 237.12525 148.7
[M+HCOO]- 299.12619 179.5
[M+CH3COO]- 313.14184 169.6
[M+Na-2H]- 275.10266 164.9
[M]+ 254.12744 157.6
[M]- 254.12854 157.6
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.