CID 217969

Brn 0575440

Structural Information

Molecular Formula
C17H19ClN2O3S
SMILES
C1CCC(CC1)N=C2N(C(=O)C(S2)CC(=O)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2O3S/c18-11-6-8-13(9-7-11)20-16(23)14(10-15(21)22)24-17(20)19-12-4-2-1-3-5-12/h6-9,12,14H,1-5,10H2,(H,21,22)
InChIKey
QGNSFCTYYGXACJ-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0805 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08778 182.7
[M+Na]+ 389.06972 192.8
[M+NH4]+ 384.11432 189.9
[M+K]+ 405.04366 186.0
[M-H]- 365.07322 186.9
[M+Na-2H]- 387.05517 187.4
[M]+ 366.07995 185.7
[M]- 366.08105 185.7
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.