CID 135478893

52980-69-5

Structural Information

Molecular Formula
C9H9N5S
SMILES
C1=CC=C2C(=C1)NC(=N2)/C=N/NC(=S)N
InChI
InChI=1S/C9H9N5S/c10-9(15)14-11-5-8-12-6-3-1-2-4-7(6)13-8/h1-5H,(H,12,13)(H3,10,14,15)/b11-5+
InChIKey
OJGOUJDLSWGJDB-VZUCSPMQSA-N
Compound name
[(E)-1H-benzimidazol-2-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.05786 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06514 142.8
[M+Na]+ 242.04708 152.1
[M-H]- 218.05058 145.1
[M+NH4]+ 237.09168 161.2
[M+K]+ 258.02102 147.0
[M+H-H2O]+ 202.05512 135.5
[M+HCOO]- 264.05606 163.6
[M+CH3COO]- 278.07171 155.2
[M+Na-2H]- 240.03253 148.7
[M]+ 219.05731 142.4
[M]- 219.05841 142.4
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.