CID 3054238

Phthalamic acid, n-(5-carboxymethyl-4-(p-chlorophenyl)-2-thiazolyl)-

Structural Information

Molecular Formula
C19H13ClN2O5S
SMILES
C1=CC=C(C(=C1)C(=O)NC2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl)C(=O)O
InChI
InChI=1S/C19H13ClN2O5S/c20-11-7-5-10(6-8-11)16-14(9-15(23)24)28-19(21-16)22-17(25)12-3-1-2-4-13(12)18(26)27/h1-8H,9H2,(H,23,24)(H,26,27)(H,21,22,25)
InChIKey
USKHGHXQIGVNIZ-UHFFFAOYSA-N
Compound name
2-[[5-(carboxymethyl)-4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.02338 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.03066 191.7
[M+Na]+ 439.01260 199.0
[M-H]- 415.01610 198.7
[M+NH4]+ 434.05720 201.8
[M+K]+ 454.98654 193.0
[M+H-H2O]+ 399.02064 184.7
[M+HCOO]- 461.02158 202.4
[M+CH3COO]- 475.03723 218.0
[M+Na-2H]- 436.99805 188.9
[M]+ 416.02283 196.5
[M]- 416.02393 196.5
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

No patent data available for this compound.