CID 10287406

Schembl5193171

Structural Information

Molecular Formula
C17H10Cl2N2O3S
SMILES
C1=CC=C(C=C1)C2=NC(=C(S2)C(=O)O)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H10Cl2N2O3S/c18-10-6-7-11(12(19)8-10)15(22)20-14-13(17(23)24)25-16(21-14)9-4-2-1-3-5-9/h1-8H,(H,20,22)(H,23,24)
InChIKey
MDYPVCMLKQPNPU-UHFFFAOYSA-N
Compound name
4-[(2,4-dichlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

391.9789 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.98618 184.4
[M+Na]+ 414.96812 194.1
[M-H]- 390.97162 192.4
[M+NH4]+ 410.01272 197.2
[M+K]+ 430.94206 186.8
[M+H-H2O]+ 374.97616 178.1
[M+HCOO]- 436.97710 192.6
[M+CH3COO]- 450.99275 194.7
[M+Na-2H]- 412.95357 182.6
[M]+ 391.97835 190.0
[M]- 391.97945 190.0
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