CID 45077873

1798723-65-5

Structural Information

Molecular Formula
C9H12N4
SMILES
CN(C)C1=NC2=C(N1)C=C(C=C2)N
InChI
InChI=1S/C9H12N4/c1-13(2)9-11-7-4-3-6(10)5-8(7)12-9/h3-5H,10H2,1-2H3,(H,11,12)
InChIKey
GDIRRUCMINBFNR-UHFFFAOYSA-N
Compound name
2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

176.1062 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.113476 135.8
[M+Na]+ 199.095418 145.6
[M-H]- 175.098924 138.4
[M+NH4]+ 194.140023 155.9
[M+K]+ 215.069358 142.6
[M+H-H2O]+ 159.103460 128.6
[M+HCOO]- 221.104401 160.4
[M+CH3COO]- 235.120051 149.5
[M+Na-2H]- 197.080866 143.0
[M]+ 176.10565142 135.6
[M]- 176.10674858 135.6
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

patents stripe