CID 63311

Brn 5643115

Structural Information

Molecular Formula
C23H16ClN3O2S
SMILES
C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C23H16ClN3O2S/c24-17-12-10-16(11-13-17)23-26(20(28)14-30-23)27-21(15-6-2-1-3-7-15)25-19-9-5-4-8-18(19)22(27)29/h1-13,23H,14H2
InChIKey
JNOZWDRCEGPXNV-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.0652 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.07248 202.8
[M+Na]+ 456.05442 214.2
[M-H]- 432.05792 213.1
[M+NH4]+ 451.09902 212.3
[M+K]+ 472.02836 205.0
[M+H-H2O]+ 416.06246 192.1
[M+HCOO]- 478.06340 211.6
[M+CH3COO]- 492.07905 212.0
[M+Na-2H]- 454.03987 201.3
[M]+ 433.06465 206.2
[M]- 433.06575 206.2
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.