CID 473184

2-[3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-4-oxo-2-phenyl-thiazolidin-5-yl]acetic acid

Structural Information

Molecular Formula
C21H23NO4S
SMILES
CC1=CC(=C(C=C1N2C(SC(C2=O)CC(=O)O)C3=CC=CC=C3)C(C)C)O
InChI
InChI=1S/C21H23NO4S/c1-12(2)15-10-16(13(3)9-17(15)23)22-20(26)18(11-19(24)25)27-21(22)14-7-5-4-6-8-14/h4-10,12,18,21,23H,11H2,1-3H3,(H,24,25)
InChIKey
IPYULRAAZOMNHZ-UHFFFAOYSA-N
Compound name
2-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.13477 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14205 190.7
[M+Na]+ 408.12399 197.4
[M-H]- 384.12749 197.1
[M+NH4]+ 403.16859 202.2
[M+K]+ 424.09793 192.0
[M+H-H2O]+ 368.13203 183.5
[M+HCOO]- 430.13297 201.8
[M+CH3COO]- 444.14862 216.6
[M+Na-2H]- 406.10944 184.0
[M]+ 385.13422 192.5
[M]- 385.13532 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.