CID 9571030

Brn 0835510

Structural Information

Molecular Formula
C22H17N3O2
SMILES
COC1=CC=C(C=C1)/C=N/N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C22H17N3O2/c1-27-18-13-11-16(12-14-18)15-23-25-21(17-7-3-2-4-8-17)24-20-10-6-5-9-19(20)22(25)26/h2-15H,1H3/b23-15+
InChIKey
ZXFSJSIQVPUEIZ-HZHRSRAPSA-N
Compound name
3-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

355.13208 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 185.3
[M+Na]+ 378.12130 203.9
[M+NH4]+ 373.16590 193.4
[M+K]+ 394.09524 193.3
[M-H]- 354.12480 193.0
[M+Na-2H]- 376.10675 197.6
[M]+ 355.13153 190.4
[M]- 355.13263 190.4
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

patents stripe