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 171.3
[M+Na]+ 320.12908 175.9
[M-H]- 296.13258 175.7
[M+NH4]+ 315.17368 187.4
[M+K]+ 336.10302 174.7
[M+H-H2O]+ 280.13712 163.6
[M+HCOO]- 342.13806 188.8
[M+CH3COO]- 356.15371 208.0
[M+Na-2H]- 318.11453 170.1
[M]+ 297.13931 178.6
[M]- 297.14041 178.6
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