CID 47766

Thiobis(n-methylcarbamic acid)-3-isopropylphenyl propyl ester

Structural Information

Molecular Formula
C16H24N2O4S
SMILES
CCCOC(=O)NCSCNC(=O)OC1=CC=CC(=C1)C(C)C
InChI
InChI=1S/C16H24N2O4S/c1-4-8-21-15(19)17-10-23-11-18-16(20)22-14-7-5-6-13(9-14)12(2)3/h5-7,9,12H,4,8,10-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKey
PLIVPQIZPXZPNR-UHFFFAOYSA-N
Compound name
propyl N-[[(3-propan-2-ylphenoxy)carbonylamino]methylsulfanylmethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1457 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15298 181.0
[M+Na]+ 363.13492 187.7
[M+NH4]+ 358.17952 186.0
[M+K]+ 379.10886 181.5
[M-H]- 339.13842 181.5
[M+Na-2H]- 361.12037 183.4
[M]+ 340.14515 182.1
[M]- 340.14625 182.1
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.