CID 3049448

Brn 2302680

Structural Information

Molecular Formula
C19H32N2O3S
SMILES
CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC=C1OC(C)C
InChI
InChI=1S/C19H32N2O3S/c1-6-8-14-21(15-9-7-2)25-20(5)19(22)24-18-13-11-10-12-17(18)23-16(3)4/h10-13,16H,6-9,14-15H2,1-5H3
InChIKey
CBEYHBYAQRLDJK-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-(dibutylamino)sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21338 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22066 190.8
[M+Na]+ 391.20260 198.0
[M+NH4]+ 386.24720 196.7
[M+K]+ 407.17654 190.9
[M-H]- 367.20610 192.7
[M+Na-2H]- 389.18805 193.9
[M]+ 368.21283 192.5
[M]- 368.21393 192.5
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.