CID 3052631

Carbamic acid, ((dipropylamino)thio)methyl-, 2-(1-methylethoxy)phenyl ester

Structural Information

Molecular Formula
C17H28N2O3S
SMILES
CCCN(CCC)SN(C)C(=O)OC1=CC=CC=C1OC(C)C
InChI
InChI=1S/C17H28N2O3S/c1-6-12-19(13-7-2)23-18(5)17(20)22-16-11-9-8-10-15(16)21-14(3)4/h8-11,14H,6-7,12-13H2,1-5H3
InChIKey
FTJBIDIRRNMSLV-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-(dipropylamino)sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.18207 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18935 184.6
[M+Na]+ 363.17129 187.4
[M-H]- 339.17479 189.8
[M+NH4]+ 358.21589 199.1
[M+K]+ 379.14523 187.2
[M+H-H2O]+ 323.17933 175.8
[M+HCOO]- 385.18027 202.7
[M+CH3COO]- 399.19592 222.3
[M+Na-2H]- 361.15674 182.2
[M]+ 340.18152 193.0
[M]- 340.18262 193.0
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.