CID 6283154

Nsc674560

Structural Information

Molecular Formula
C37H27N3O2S
SMILES
C1C(=O)N(C(S1)/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7
InChI
InChI=1S/C37H27N3O2S/c41-34-25-43-35(24-15-26-9-3-1-4-10-26)39(34)30-20-16-27(17-21-30)28-18-22-31(23-19-28)40-36(29-11-5-2-6-12-29)38-33-14-8-7-13-32(33)37(40)42/h1-24,35H,25H2/b24-15+
InChIKey
OEFHCAWGRLRQHL-BUVRLJJBSA-N
Compound name
3-[4-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]phenyl]-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.1824 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.18968 245.0
[M+Na]+ 600.17162 252.3
[M-H]- 576.17512 259.3
[M+NH4]+ 595.21622 245.9
[M+K]+ 616.14556 240.8
[M+H-H2O]+ 560.17966 230.0
[M+HCOO]- 622.18060 255.4
[M+CH3COO]- 636.19625 249.8
[M+Na-2H]- 598.15707 240.5
[M]+ 577.18185 243.6
[M]- 577.18295 243.6
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.