CID 1890229

N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C25H22ClN3O4S
SMILES
CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H22ClN3O4S/c1-15-12-21(22(33-3)13-19(15)26)27-23(30)14-34-25-28-20-7-5-4-6-18(20)24(31)29(25)16-8-10-17(32-2)11-9-16/h4-13H,14H2,1-3H3,(H,27,30)
InChIKey
VRDYTYONYPEEKG-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(4-methoxyphenyl)-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 216.0
[M+Na]+ 518.09118 225.6
[M-H]- 494.09468 224.4
[M+NH4]+ 513.13578 222.5
[M+K]+ 534.06512 218.3
[M+H-H2O]+ 478.09922 205.2
[M+HCOO]- 540.10016 226.3
[M+CH3COO]- 554.11581 224.2
[M+Na-2H]- 516.07663 216.5
[M]+ 495.10141 225.8
[M]- 495.10251 225.8
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.