CID 224656

Usaf uctl-1766

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
C1=CC=C(C=C1)NC(=O)CSC(=O)N
InChI
InChI=1S/C9H10N2O2S/c10-9(13)14-6-8(12)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13)(H,11,12)
InChIKey
CEINNGQDMFZTJK-UHFFFAOYSA-N
Compound name
S-(2-anilino-2-oxoethyl) carbamothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

210.0463 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.053576 144.5
[M+Na]+ 233.035518 150.2
[M-H]- 209.039024 147.5
[M+NH4]+ 228.080123 162.5
[M+K]+ 249.009458 147.4
[M+H-H2O]+ 193.043560 137.7
[M+HCOO]- 255.044501 163.8
[M+CH3COO]- 269.060151 187.0
[M+Na-2H]- 231.020966 146.9
[M]+ 210.04575142 144.0
[M]- 210.04684858 144.0
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