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 182.2
[M+Na]+ 368.12908 188.0
[M-H]- 344.13258 188.8
[M+NH4]+ 363.17368 195.9
[M+K]+ 384.10302 184.2
[M+H-H2O]+ 328.13712 173.8
[M+HCOO]- 390.13806 199.4
[M+CH3COO]- 404.15371 214.7
[M+Na-2H]- 366.11453 181.2
[M]+ 345.13931 187.9
[M]- 345.14041 187.9
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.