CID 3003575

(2-aminophenyl)thiourea hydrochloride

Structural Information

Molecular Formula
C7H9N3S
SMILES
C1=CC=C(C(=C1)N)NC(=S)N
InChI
InChI=1S/C7H9N3S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,8H2,(H3,9,10,11)
InChIKey
HZFPIVZQYGZVEO-UHFFFAOYSA-N
Compound name
(2-aminophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

167.05171 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.058986 132.4
[M+Na]+ 190.040928 139.3
[M-H]- 166.044434 135.4
[M+NH4]+ 185.085533 152.0
[M+K]+ 206.014868 135.4
[M+H-H2O]+ 150.048970 126.0
[M+HCOO]- 212.049911 152.9
[M+CH3COO]- 226.065561 183.1
[M+Na-2H]- 188.026376 135.5
[M]+ 167.05116142 128.3
[M]- 167.05225858 128.3
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