CID 65890

Tiprotimod

Structural Information

Molecular Formula
C10H13NO4S2
SMILES
CC1=C(SC(=N1)SCCCC(=O)O)CC(=O)O
InChI
InChI=1S/C10H13NO4S2/c1-6-7(5-9(14)15)17-10(11-6)16-4-2-3-8(12)13/h2-5H2,1H3,(H,12,13)(H,14,15)
InChIKey
PZEUAMSVHLMPBZ-UHFFFAOYSA-N
Compound name
4-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

421
Patents

275.0286 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.03588 161.7
[M+Na]+ 298.01782 168.7
[M+NH4]+ 293.06242 167.2
[M+K]+ 313.99176 163.5
[M-H]- 274.02132 159.7
[M+Na-2H]- 296.00327 161.5
[M]+ 275.02805 162.6
[M]- 275.02915 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe