CID 381979

Nsc669299

Structural Information

Molecular Formula
C21H23N3O5S
SMILES
CC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)NNC(=O)OCC3=CC=C(C=C3)OC
InChI
InChI=1S/C21H23N3O5S/c1-14(25)24-18(13-30-20(24)16-6-4-3-5-7-16)19(26)22-23-21(27)29-12-15-8-10-17(28-2)11-9-15/h3-11,18,20H,12-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKey
JULVIBILHMRRNE-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)methyl N-[(3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl)amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.13583 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.14311 201.0
[M+Na]+ 452.12505 204.0
[M-H]- 428.12855 209.0
[M+NH4]+ 447.16965 210.4
[M+K]+ 468.09899 200.9
[M+H-H2O]+ 412.13309 191.6
[M+HCOO]- 474.13403 216.5
[M+CH3COO]- 488.14968 226.8
[M+Na-2H]- 450.11050 197.9
[M]+ 429.13528 203.3
[M]- 429.13638 203.3
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.