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]+ 285.090346 160.1
[M+Na]+ 307.072288 167.5
[M-H]- 283.075794 166.6
[M+NH4]+ 302.116893 179.2
[M+K]+ 323.046228 164.4
[M+H-H2O]+ 267.080330 154.3
[M+HCOO]- 329.081271 179.4
[M+CH3COO]- 343.096921 199.1
[M+Na-2H]- 305.057736 160.9
[M]+ 284.08252142 160.8
[M]- 284.08361858 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.