CID 3072243

Carbamic acid, (2-(((1-methylethyl)sulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-, propyl ester

Structural Information

Molecular Formula
C13H18F3N3O4S
SMILES
CCCOC(=O)NC1=C(N=CC(=C1)C(F)(F)F)NS(=O)(=O)C(C)C
InChI
InChI=1S/C13H18F3N3O4S/c1-4-5-23-12(20)18-10-6-9(13(14,15)16)7-17-11(10)19-24(21,22)8(2)3/h6-8H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKey
FVMIWZULNUJCTL-UHFFFAOYSA-N
Compound name
propyl N-[2-(propan-2-ylsulfonylamino)-5-(trifluoromethyl)pyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.09702 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.10430 178.3
[M+Na]+ 392.08624 184.4
[M-H]- 368.08974 176.4
[M+NH4]+ 387.13084 189.0
[M+K]+ 408.06018 181.3
[M+H-H2O]+ 352.09428 168.2
[M+HCOO]- 414.09522 189.9
[M+CH3COO]- 428.11087 216.5
[M+Na-2H]- 390.07169 179.5
[M]+ 369.09647 178.8
[M]- 369.09757 178.8
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.