CID 503665

Chembl168044

Structural Information

Molecular Formula
C20H23NO4S
SMILES
CCCOC(=O)N(C1=CC=CC=C1)C(=S)OC(C)COC2=CC=CC=C2
InChI
InChI=1S/C20H23NO4S/c1-3-14-23-19(22)21(17-10-6-4-7-11-17)20(26)25-16(2)15-24-18-12-8-5-9-13-18/h4-13,16H,3,14-15H2,1-2H3
InChIKey
PWIAJRQFJAZYIK-UHFFFAOYSA-N
Compound name
propyl N-(1-phenoxypropan-2-yloxycarbothioyl)-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.13477 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14205 191.0
[M+Na]+ 396.12399 193.7
[M-H]- 372.12749 197.8
[M+NH4]+ 391.16859 203.0
[M+K]+ 412.09793 191.6
[M+H-H2O]+ 356.13203 181.7
[M+HCOO]- 418.13297 207.8
[M+CH3COO]- 432.14862 218.1
[M+Na-2H]- 394.10944 189.8
[M]+ 373.13422 196.9
[M]- 373.13532 196.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.