CID 47456

Brn 2296013

Structural Information

Molecular Formula
C15H24N2O3S
SMILES
CCN(CC)SN(C)C(=O)OC1=CC=CC=C1OC(C)C
InChI
InChI=1S/C15H24N2O3S/c1-6-17(7-2)21-16(5)15(18)20-14-11-9-8-10-13(14)19-12(3)4/h8-12H,6-7H2,1-5H3
InChIKey
RTSJPYIBJKXKIE-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-(diethylaminosulfanyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.15076 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15804 175.6
[M+Na]+ 335.13998 179.3
[M-H]- 311.14348 181.2
[M+NH4]+ 330.18458 191.3
[M+K]+ 351.11392 179.5
[M+H-H2O]+ 295.14802 167.2
[M+HCOO]- 357.14896 194.4
[M+CH3COO]- 371.16461 216.5
[M+Na-2H]- 333.12543 174.2
[M]+ 312.15021 183.3
[M]- 312.15131 183.3
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

No patent data available for this compound.