CID 55521

86627-72-7

Structural Information

Molecular Formula
C18H21NO3S
SMILES
CC(C)C1=CC(=CC=C1)OC(=O)N(C)SOCC2=CC=CC=C2
InChI
InChI=1S/C18H21NO3S/c1-14(2)16-10-7-11-17(12-16)22-18(20)19(3)23-21-13-15-8-5-4-6-9-15/h4-12,14H,13H2,1-3H3
InChIKey
NFWRALIJQVLAGS-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-methyl-N-phenylmethoxysulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

331.1242 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13148 176.4
[M+Na]+ 354.11342 188.1
[M+NH4]+ 349.15802 184.2
[M+K]+ 370.08736 179.7
[M-H]- 330.11692 181.0
[M+Na-2H]- 352.09887 184.2
[M]+ 331.12365 179.8
[M]- 331.12475 179.8
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

patents stripe