CID 670481

Acetic acid, ((5,6-dimethyl-1h-benzimidazol-2-yl)thio)-, hydrazide, dihydrochloride

Structural Information

Molecular Formula
C11H14N4OS
SMILES
CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)NN
InChI
InChI=1S/C11H14N4OS/c1-6-3-8-9(4-7(6)2)14-11(13-8)17-5-10(16)15-12/h3-4H,5,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKey
AYCXDQHIVYLKFI-UHFFFAOYSA-N
Compound name
2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

250.08884 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09612 153.9
[M+Na]+ 273.07806 163.8
[M-H]- 249.08156 155.1
[M+NH4]+ 268.12266 171.1
[M+K]+ 289.05200 158.5
[M+H-H2O]+ 233.08610 147.2
[M+HCOO]- 295.08704 171.4
[M+CH3COO]- 309.10269 195.3
[M+Na-2H]- 271.06351 156.2
[M]+ 250.08829 155.9
[M]- 250.08939 155.9
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.