CID 3072218

Carbamic acid, (2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-, ethyl ester

Structural Information

Molecular Formula
C10H12F3N3O4S
SMILES
CCOC(=O)NC1=C(N=CC(=C1)C(F)(F)F)NS(=O)(=O)C
InChI
InChI=1S/C10H12F3N3O4S/c1-3-20-9(17)15-7-4-6(10(11,12)13)5-14-8(7)16-21(2,18)19/h4-5H,3H2,1-2H3,(H,14,16)(H,15,17)
InChIKey
IDPFJZHNEJYFBD-UHFFFAOYSA-N
Compound name
ethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.05005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.05733 165.6
[M+Na]+ 350.03927 173.4
[M-H]- 326.04277 164.3
[M+NH4]+ 345.08387 178.1
[M+K]+ 366.01321 170.2
[M+H-H2O]+ 310.04731 155.9
[M+HCOO]- 372.04825 179.2
[M+CH3COO]- 386.06390 206.7
[M+Na-2H]- 348.02472 169.2
[M]+ 327.04950 165.7
[M]- 327.05060 165.7
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.