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

2
Patents

226.04121 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.048486 148.2
[M+Na]+ 249.030428 153.3
[M-H]- 225.033934 151.1
[M+NH4]+ 244.075033 165.3
[M+K]+ 265.004368 151.6
[M+H-H2O]+ 209.038470 141.2
[M+HCOO]- 271.039411 166.5
[M+CH3COO]- 285.055061 190.1
[M+Na-2H]- 247.015876 149.5
[M]+ 226.04066142 148.4
[M]- 226.04175858 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

patents stripe