CID 3057327

Semicarbazide, 1-(o-aminobenzoyl)-3-thio-

Structural Information

Molecular Formula
C8H10N4OS
SMILES
C1=CC=C(C(=C1)C(=O)NNC(=S)N)N
InChI
InChI=1S/C8H10N4OS/c9-6-4-2-1-3-5(6)7(13)11-12-8(10)14/h1-4H,9H2,(H,11,13)(H3,10,12,14)
InChIKey
IVCHJJHRCCWAJB-UHFFFAOYSA-N
Compound name
[(2-aminobenzoyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

210.05753 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.064806 143.5
[M+Na]+ 233.046748 149.0
[M-H]- 209.050254 146.2
[M+NH4]+ 228.091353 160.8
[M+K]+ 249.020688 145.4
[M+H-H2O]+ 193.054790 136.3
[M+HCOO]- 255.055731 163.9
[M+CH3COO]- 269.071381 192.4
[M+Na-2H]- 231.032196 145.6
[M]+ 210.05698142 138.9
[M]- 210.05807858 138.9
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

patents stripe