CID 20121591

1016741-18-6

Structural Information

Molecular Formula
C12H16N2O4S
SMILES
COC1=C(C=C(C=C1)C(=O)NC2CCS(=O)(=O)C2)N
InChI
InChI=1S/C12H16N2O4S/c1-18-11-3-2-8(6-10(11)13)12(15)14-9-4-5-19(16,17)7-9/h2-3,6,9H,4-5,7,13H2,1H3,(H,14,15)
InChIKey
ZOQVZECSCJTCAL-UHFFFAOYSA-N
Compound name
3-amino-N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.08307 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09035 160.1
[M+Na]+ 307.07229 167.5
[M-H]- 283.07579 166.6
[M+NH4]+ 302.11689 179.2
[M+K]+ 323.04623 164.4
[M+H-H2O]+ 267.08033 154.3
[M+HCOO]- 329.08127 179.4
[M+CH3COO]- 343.09692 199.1
[M+Na-2H]- 305.05774 160.9
[M]+ 284.08252 160.8
[M]- 284.08362 160.8
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.