CID 3072219

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

Structural Information

Molecular Formula
C11H14F3N3O4S
SMILES
CCCOC(=O)NC1=C(N=CC(=C1)C(F)(F)F)NS(=O)(=O)C
InChI
InChI=1S/C11H14F3N3O4S/c1-3-4-21-10(18)16-8-5-7(11(12,13)14)6-15-9(8)17-22(2,19)20/h5-6H,3-4H2,1-2H3,(H,15,17)(H,16,18)
InChIKey
RDOWVDIMIUAOFC-UHFFFAOYSA-N
Compound name
propyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0657 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07298 170.0
[M+Na]+ 364.05492 177.3
[M-H]- 340.05842 168.5
[M+NH4]+ 359.09952 182.0
[M+K]+ 380.02886 174.0
[M+H-H2O]+ 324.06296 160.1
[M+HCOO]- 386.06390 183.3
[M+CH3COO]- 400.07955 209.7
[M+Na-2H]- 362.04037 173.1
[M]+ 341.06515 170.4
[M]- 341.06625 170.4
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

No patent data available for this compound.