CID 46647

64046-58-8

Structural Information

Molecular Formula
C9H10N2O3S
SMILES
C1=CC=C(C=C1)NC(=O)C(OC(=O)N)S
InChI
InChI=1S/C9H10N2O3S/c10-9(13)14-8(15)7(12)11-6-4-2-1-3-5-6/h1-5,8,15H,(H2,10,13)(H,11,12)
InChIKey
LDPMOGIDOIGOJB-UHFFFAOYSA-N
Compound name
(2-anilino-2-oxo-1-sulfanylethyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04121 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04849 148.2
[M+Na]+ 249.03043 153.3
[M-H]- 225.03393 151.1
[M+NH4]+ 244.07503 165.3
[M+K]+ 265.00437 151.6
[M+H-H2O]+ 209.03847 141.2
[M+HCOO]- 271.03941 166.5
[M+CH3COO]- 285.05506 190.1
[M+Na-2H]- 247.01588 149.5
[M]+ 226.04066 148.4
[M]- 226.04176 148.4
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.