CID 1307063

N-(3-chloro-4-methoxyphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C25H22ClN3O4S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)OC)Cl
InChI
InChI=1S/C25H22ClN3O4S/c1-3-33-18-11-9-17(10-12-18)29-24(31)19-6-4-5-7-21(19)28-25(29)34-15-23(30)27-16-8-13-22(32-2)20(26)14-16/h4-14H,3,15H2,1-2H3,(H,27,30)
InChIKey
MKBAYIVOZBOAGQ-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methoxyphenyl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.10196 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.10924 215.1
[M+Na]+ 518.09118 224.0
[M-H]- 494.09468 223.2
[M+NH4]+ 513.13578 221.4
[M+K]+ 534.06512 216.6
[M+H-H2O]+ 478.09922 204.2
[M+HCOO]- 540.10016 225.5
[M+CH3COO]- 554.11581 223.0
[M+Na-2H]- 516.07663 216.4
[M]+ 495.10141 224.5
[M]- 495.10251 224.5
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.