CID 39707

Brn 2009654

Structural Information

Molecular Formula
C18H21NO3S
SMILES
CC1=CC=C(C=C1)SN(C)C(=O)OC2=CC=CC=C2OC(C)C
InChI
InChI=1S/C18H21NO3S/c1-13(2)21-16-7-5-6-8-17(16)22-18(20)19(4)23-15-11-9-14(3)10-12-15/h5-13H,1-4H3
InChIKey
WUJDOMYWIHADET-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-methyl-N-(4-methylphenyl)sulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1242 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13148 176.6
[M+Na]+ 354.11342 188.7
[M+NH4]+ 349.15802 184.4
[M+K]+ 370.08736 180.5
[M-H]- 330.11692 181.2
[M+Na-2H]- 352.09887 184.2
[M]+ 331.12365 180.1
[M]- 331.12475 180.1
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

No patent data available for this compound.