CID 384557

Nsc674571

Structural Information

Molecular Formula
C37H29N3O4S
SMILES
COC1=CC=CC(=C1OC)C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7
InChI
InChI=1S/C37H29N3O4S/c1-43-32-14-8-12-30(34(32)44-2)37-39(33(41)23-45-37)27-19-15-24(16-20-27)25-17-21-28(22-18-25)40-35(26-9-4-3-5-10-26)38-31-13-7-6-11-29(31)36(40)42/h3-22,37H,23H2,1-2H3
InChIKey
HHAQKOZJVVKVLZ-UHFFFAOYSA-N
Compound name
2-(2,3-dimethoxyphenyl)-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

611.18787 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.19515 251.9
[M+Na]+ 634.17709 259.4
[M-H]- 610.18059 267.0
[M+NH4]+ 629.22169 251.6
[M+K]+ 650.15103 250.6
[M+H-H2O]+ 594.18513 236.8
[M+HCOO]- 656.18607 262.2
[M+CH3COO]- 670.20172 256.8
[M+Na-2H]- 632.16254 246.7
[M]+ 611.18732 254.6
[M]- 611.18842 254.6
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.