CID 676606

30065-27-1

Structural Information

Molecular Formula
C9H10N4OS
SMILES
C1=CC=C2C(=C1)NC(=N2)SCC(=O)NN
InChI
InChI=1S/C9H10N4OS/c10-13-8(14)5-15-9-11-6-3-1-2-4-7(6)12-9/h1-4H,5,10H2,(H,11,12)(H,13,14)
InChIKey
UIHKXOZJFOTOCE-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

222.05753 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.064806 143.5
[M+Na]+ 245.046748 152.7
[M-H]- 221.050254 144.4
[M+NH4]+ 240.091353 161.3
[M+K]+ 261.020688 147.9
[M+H-H2O]+ 205.054790 136.7
[M+HCOO]- 267.055731 161.9
[M+CH3COO]- 281.071381 155.6
[M+Na-2H]- 243.032196 148.4
[M]+ 222.05698142 144.1
[M]- 222.05807858 144.1
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

patents stripe