CID 1989031

585551-93-5

Structural Information

Molecular Formula
C25H22ClN3O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)C)Cl
InChI
InChI=1S/C25H22ClN3O3S/c1-3-32-19-12-10-18(11-13-19)29-24(31)20-6-4-5-7-22(20)28-25(29)33-15-23(30)27-17-9-8-16(2)21(26)14-17/h4-14H,3,15H2,1-2H3,(H,27,30)
InChIKey
XDOJGACGHLMITB-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.10703 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.11431 213.7
[M+Na]+ 502.09625 231.3
[M+NH4]+ 497.14085 220.9
[M+K]+ 518.07019 219.2
[M-H]- 478.09975 220.5
[M+Na-2H]- 500.08170 223.1
[M]+ 479.10648 219.1
[M]- 479.10758 219.1
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.