CID 40069

Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester

Structural Information

Molecular Formula
C14H14N2O2S
SMILES
CSC1=CC=C(C=C1)NC(=O)OCC2=CN=CC=C2
InChI
InChI=1S/C14H14N2O2S/c1-19-13-6-4-12(5-7-13)16-14(17)18-10-11-3-2-8-15-9-11/h2-9H,10H2,1H3,(H,16,17)
InChIKey
KHTCKRBILMFWJI-UHFFFAOYSA-N
Compound name
pyridin-3-ylmethyl N-(4-methylsulfanylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

274.0776 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08488 160.6
[M+Na]+ 297.06682 173.6
[M+NH4]+ 292.11142 168.7
[M+K]+ 313.04076 164.4
[M-H]- 273.07032 164.8
[M+Na-2H]- 295.05227 169.3
[M]+ 274.07705 164.1
[M]- 274.07815 164.1
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

patents stripe