CID 960204

(4-amino-phenyl)-thiourea

Structural Information

Molecular Formula
C7H9N3S
SMILES
C1=CC(=CC=C1N)NC(=S)N
InChI
InChI=1S/C7H9N3S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,8H2,(H3,9,10,11)
InChIKey
ZJLRWLYVCHKHMM-UHFFFAOYSA-N
Compound name
(4-aminophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

167.05171 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.05899 132.4
[M+Na]+ 190.04093 139.3
[M-H]- 166.04443 135.4
[M+NH4]+ 185.08553 152.0
[M+K]+ 206.01487 135.4
[M+H-H2O]+ 150.04897 126.0
[M+HCOO]- 212.04991 152.9
[M+CH3COO]- 226.06556 183.1
[M+Na-2H]- 188.02638 135.5
[M]+ 167.05116 128.3
[M]- 167.05226 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.