CID 3072221

141283-62-7

Structural Information

Molecular Formula
C11H13F3N4O4S2
SMILES
CCOC(=O)NC(=S)NC1=C(N=CC(=C1)C(F)(F)F)NS(=O)(=O)C
InChI
InChI=1S/C11H13F3N4O4S2/c1-3-22-10(19)17-9(23)16-7-4-6(11(12,13)14)5-15-8(7)18-24(2,20)21/h4-5H,3H2,1-2H3,(H,15,18)(H2,16,17,19,23)
InChIKey
CCSOKBMSDHZTEB-UHFFFAOYSA-N
Compound name
ethyl N-[[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]carbamothioyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.03302 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.04030 178.0
[M+Na]+ 409.02224 183.4
[M-H]- 385.02574 175.3
[M+NH4]+ 404.06684 187.4
[M+K]+ 424.99618 178.1
[M+H-H2O]+ 369.03028 167.6
[M+HCOO]- 431.03122 185.3
[M+CH3COO]- 445.04687 217.8
[M+Na-2H]- 407.00769 179.8
[M]+ 386.03247 176.6
[M]- 386.03357 176.6
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.