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]+ 346.147136 182.2
[M+Na]+ 368.129078 188.0
[M-H]- 344.132584 188.8
[M+NH4]+ 363.173683 195.9
[M+K]+ 384.103018 184.2
[M+H-H2O]+ 328.137120 173.8
[M+HCOO]- 390.138061 199.4
[M+CH3COO]- 404.153711 214.7
[M+Na-2H]- 366.114526 181.2
[M]+ 345.13931142 187.9
[M]- 345.14040858 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.