CID 63955

Brn 5648547

Structural Information

Molecular Formula
C24H19N3O3S
SMILES
COC1=CC=C(C=C1)C2N(C(=O)CS2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C24H19N3O3S/c1-30-18-13-11-17(12-14-18)24-26(21(28)15-31-24)27-22(16-7-3-2-4-8-16)25-20-10-6-5-9-19(20)23(27)29/h2-14,24H,15H2,1H3
InChIKey
QNYWFZWYUMWIMV-UHFFFAOYSA-N
Compound name
2-(4-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

429.11472 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.12200 203.5
[M+Na]+ 452.10394 213.4
[M-H]- 428.10744 213.8
[M+NH4]+ 447.14854 212.1
[M+K]+ 468.07788 205.7
[M+H-H2O]+ 412.11198 192.3
[M+HCOO]- 474.11292 216.7
[M+CH3COO]- 488.12857 212.5
[M+Na-2H]- 450.08939 202.2
[M]+ 429.11417 206.2
[M]- 429.11527 206.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.