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 211.8
[M+Na]+ 497.12539 218.1
[M-H]- 473.12889 219.0
[M+NH4]+ 492.16999 216.8
[M+K]+ 513.09933 211.4
[M+H-H2O]+ 457.13343 200.3
[M+HCOO]- 519.13437 226.2
[M+CH3COO]- 533.15002 240.3
[M+Na-2H]- 495.11084 213.3
[M]+ 474.13562 215.6
[M]- 474.13672 215.6
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.