CID 384545

Nsc674559

Structural Information

Molecular Formula
C35H25N3O3S
SMILES
C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7
InChI
InChI=1S/C35H25N3O3S/c39-31-13-7-5-11-29(31)35-37(32(40)22-42-35)26-18-14-23(15-19-26)24-16-20-27(21-17-24)38-33(25-8-2-1-3-9-25)36-30-12-6-4-10-28(30)34(38)41/h1-21,35,39H,22H2
InChIKey
TYHGMDHBJYGUHH-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenyl)-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

567.1617 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.16898 239.0
[M+Na]+ 590.15092 246.9
[M-H]- 566.15442 253.0
[M+NH4]+ 585.19552 239.9
[M+K]+ 606.12486 236.6
[M+H-H2O]+ 550.15896 224.9
[M+HCOO]- 612.15990 248.7
[M+CH3COO]- 626.17555 244.3
[M+Na-2H]- 588.13637 235.2
[M]+ 567.16115 238.2
[M]- 567.16225 238.2
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.