CID 3054239

2-phthalimido-4-p-chlorophenylthiazole-5-acetic acid

Structural Information

Molecular Formula
C19H11ClN2O4S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC(=C(S3)CC(=O)O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H11ClN2O4S/c20-11-7-5-10(6-8-11)16-14(9-15(23)24)27-19(21-16)22-17(25)12-3-1-2-4-13(12)18(22)26/h1-8H,9H2,(H,23,24)
InChIKey
PFEIUKZUOSTTRY-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.01282 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.02010 191.5
[M+Na]+ 421.00204 203.2
[M-H]- 397.00554 200.4
[M+NH4]+ 416.04664 205.6
[M+K]+ 436.97598 196.5
[M+H-H2O]+ 381.01008 185.2
[M+HCOO]- 443.01102 202.3
[M+CH3COO]- 457.02667 202.4
[M+Na-2H]- 418.98749 187.5
[M]+ 398.01227 198.3
[M]- 398.01337 198.3
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.