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 193.6
[M+Na]+ 391.20260 195.5
[M-H]- 367.20610 198.3
[M+NH4]+ 386.24720 206.9
[M+K]+ 407.17654 194.8
[M+H-H2O]+ 351.21064 184.4
[M+HCOO]- 413.21158 211.0
[M+CH3COO]- 427.22723 228.2
[M+Na-2H]- 389.18805 190.2
[M]+ 368.21283 202.6
[M]- 368.21393 202.6
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

No patent data available for this compound.