CID 39710

Brn 2013309

Structural Information

Molecular Formula
C19H23NO3S
SMILES
CC1=CC(=C(C=C1)SCNC(=O)OC2=CC=CC=C2OC(C)C)C
InChI
InChI=1S/C19H23NO3S/c1-13(2)22-16-7-5-6-8-17(16)23-19(21)20-12-24-18-10-9-14(3)11-15(18)4/h5-11,13H,12H2,1-4H3,(H,20,21)
InChIKey
FJASKIACBNWIMG-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-[(2,4-dimethylphenyl)sulfanylmethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.13986 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.14714 182.0
[M+Na]+ 368.12908 194.0
[M+NH4]+ 363.17368 189.3
[M+K]+ 384.10302 185.2
[M-H]- 344.13258 186.2
[M+Na-2H]- 366.11453 188.7
[M]+ 345.13931 185.4
[M]- 345.14041 185.4
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.