CID 479225

2-[[2-(4-methoxyphenyl)-4-oxo-quinazolin-3-yl]amino]-n-phenyl-acetamide

Structural Information

Molecular Formula
C23H20N4O3
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NCC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C23H20N4O3/c1-30-18-13-11-16(12-14-18)22-26-20-10-6-5-9-19(20)23(29)27(22)24-15-21(28)25-17-7-3-2-4-8-17/h2-14,24H,15H2,1H3,(H,25,28)
InChIKey
MRIXTFHIBOPUBE-UHFFFAOYSA-N
Compound name
2-[[2-(4-methoxyphenyl)-4-oxoquinazolin-3-yl]amino]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.15353 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16081 194.8
[M+Na]+ 423.14275 201.5
[M-H]- 399.14625 202.7
[M+NH4]+ 418.18735 202.5
[M+K]+ 439.11669 195.4
[M+H-H2O]+ 383.15079 182.4
[M+HCOO]- 445.15173 216.0
[M+CH3COO]- 459.16738 203.6
[M+Na-2H]- 421.12820 201.1
[M]+ 400.15298 196.0
[M]- 400.15408 196.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.