CID 217963

Brn 0574680

Structural Information

Molecular Formula
C17H20N2O3S
SMILES
CC1=CC=CC=C1N2C(=O)C(SC2=NC3CCCC3)CC(=O)O
InChI
InChI=1S/C17H20N2O3S/c1-11-6-2-5-9-13(11)19-16(22)14(10-15(20)21)23-17(19)18-12-7-3-4-8-12/h2,5-6,9,12,14H,3-4,7-8,10H2,1H3,(H,20,21)
InChIKey
LEJNKBPIMVOEKT-UHFFFAOYSA-N
Compound name
2-[2-cyclopentylimino-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.11948 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12676 179.0
[M+Na]+ 355.10870 187.2
[M+NH4]+ 350.15330 185.8
[M+K]+ 371.08264 183.4
[M-H]- 331.11220 182.5
[M+Na-2H]- 353.09415 182.6
[M]+ 332.11893 181.2
[M]- 332.12003 181.2
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.