CID 384552

Nsc674566

Structural Information

Molecular Formula
C35H24ClN3O2S
SMILES
C1C(=O)N(C(S1)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7
InChI
InChI=1S/C35H24ClN3O2S/c36-27-10-6-9-26(21-27)35-38(32(40)22-42-35)28-17-13-23(14-18-28)24-15-19-29(20-16-24)39-33(25-7-2-1-3-8-25)37-31-12-5-4-11-30(31)34(39)41/h1-21,35H,22H2
InChIKey
VGSHYVIJNDVUFN-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-3-[4-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]phenyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

585.12775 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.13503 244.4
[M+Na]+ 608.11697 253.8
[M-H]- 584.12047 259.2
[M+NH4]+ 603.16157 246.3
[M+K]+ 624.09091 242.7
[M+H-H2O]+ 568.12501 229.8
[M+HCOO]- 630.12595 250.8
[M+CH3COO]- 644.14160 249.9
[M+Na-2H]- 606.10242 239.8
[M]+ 585.12720 246.4
[M]- 585.12830 246.4
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.