CID 349294

Nsc408934

Structural Information

Molecular Formula
C17H22N2O5S
SMILES
CCOC(=O)C(C1NC(C(S1)(C)C)C(=O)O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H22N2O5S/c1-4-24-16(23)11(18-13(20)10-8-6-5-7-9-10)14-19-12(15(21)22)17(2,3)25-14/h5-9,11-12,14,19H,4H2,1-3H3,(H,18,20)(H,21,22)
InChIKey
HQEJTFRMUYHJJT-UHFFFAOYSA-N
Compound name
2-(1-benzamido-2-ethoxy-2-oxoethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.12494 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.13222 184.6
[M+Na]+ 389.11416 187.7
[M-H]- 365.11766 186.6
[M+NH4]+ 384.15876 197.5
[M+K]+ 405.08810 185.0
[M+H-H2O]+ 349.12220 178.5
[M+HCOO]- 411.12314 194.9
[M+CH3COO]- 425.13879 210.3
[M+Na-2H]- 387.09961 180.7
[M]+ 366.12439 184.9
[M]- 366.12549 184.9
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.