CID 3070558

3-isopropylphenyl (butoxysulfenyl)(methyl)carbamate

Structural Information

Molecular Formula
C15H23NO3S
SMILES
CCCCOSN(C)C(=O)OC1=CC=CC(=C1)C(C)C
InChI
InChI=1S/C15H23NO3S/c1-5-6-10-18-20-16(4)15(17)19-14-9-7-8-13(11-14)12(2)3/h7-9,11-12H,5-6,10H2,1-4H3
InChIKey
QBBOWSPLJPPULT-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-butoxysulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

297.13986 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14714 170.2
[M+Na]+ 320.12908 179.4
[M+NH4]+ 315.17368 177.1
[M+K]+ 336.10302 172.2
[M-H]- 296.13258 171.9
[M+Na-2H]- 318.11453 174.2
[M]+ 297.13931 172.3
[M]- 297.14041 172.3
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