CID 63657

Brn 5653535

Structural Information

Molecular Formula
C24H19N3O4S
SMILES
COC1=C(C=CC(=C1)C2N(C(=O)CS2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5)O
InChI
InChI=1S/C24H19N3O4S/c1-31-20-13-16(11-12-19(20)28)24-26(21(29)14-32-24)27-22(15-7-3-2-4-8-15)25-18-10-6-5-9-17(18)23(27)30/h2-13,24,28H,14H2,1H3
InChIKey
FROUUAROSLYYGP-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-3-methoxyphenyl)-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

445.10962 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.11690 206.3
[M+Na]+ 468.09884 216.1
[M-H]- 444.10234 215.7
[M+NH4]+ 463.14344 213.6
[M+K]+ 484.07278 208.6
[M+H-H2O]+ 428.10688 195.6
[M+HCOO]- 490.10782 218.2
[M+CH3COO]- 504.12347 214.8
[M+Na-2H]- 466.08429 204.5
[M]+ 445.10907 209.1
[M]- 445.11017 209.1
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.