CID 135441055

2-[4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetic acid

Structural Information

Molecular Formula
C11H10N2O3S
SMILES
C1=CC=C(C=C1)N=C2NC(=O)C(S2)CC(=O)O
InChI
InChI=1S/C11H10N2O3S/c14-9(15)6-8-10(16)13-11(17-8)12-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,15)(H,12,13,16)
InChIKey
RSSOQQYOYNMIOZ-UHFFFAOYSA-N
Compound name
2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.04121 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.048486 154.0
[M+Na]+ 273.030428 161.0
[M-H]- 249.033934 158.2
[M+NH4]+ 268.075033 170.9
[M+K]+ 289.004368 156.7
[M+H-H2O]+ 233.038470 147.2
[M+HCOO]- 295.039411 170.6
[M+CH3COO]- 309.055061 188.6
[M+Na-2H]- 271.015876 153.9
[M]+ 250.04066142 152.5
[M]- 250.04175858 152.5
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

patents stripe