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]+ 211.06481 143.5
[M+Na]+ 233.04675 149.0
[M-H]- 209.05025 146.2
[M+NH4]+ 228.09135 160.8
[M+K]+ 249.02069 145.4
[M+H-H2O]+ 193.05479 136.3
[M+HCOO]- 255.05573 163.9
[M+CH3COO]- 269.07138 192.4
[M+Na-2H]- 231.03220 145.6
[M]+ 210.05698 138.9
[M]- 210.05808 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