CID 1964472

618432-26-1

Structural Information

Molecular Formula
C25H22N4O4S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C25H22N4O4S/c1-2-33-19-13-11-18(12-14-19)29-24(32)20-5-3-4-6-21(20)28-25(29)34-15-22(30)27-17-9-7-16(8-10-17)23(26)31/h3-14H,2,15H2,1H3,(H2,26,31)(H,27,30)
InChIKey
FYNWOYRXYHJBEG-UHFFFAOYSA-N
Compound name
4-[[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.13617 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.14345 210.2
[M+Na]+ 497.12539 224.1
[M+NH4]+ 492.16999 215.4
[M+K]+ 513.09933 215.0
[M-H]- 473.12889 216.0
[M+Na-2H]- 495.11084 218.6
[M]+ 474.13562 214.2
[M]- 474.13672 214.2
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.