CID 63175

Brn 4573149

Structural Information

Molecular Formula
C27H20N4O
SMILES
C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)N
InChI
InChI=1S/C27H20N4O/c28-21-12-16-23(17-13-21)31-26(30-25-9-5-4-8-24(25)27(31)32)20-10-14-22(15-11-20)29-18-19-6-2-1-3-7-19/h1-18H,28H2
InChIKey
YAYHGZXNLBYOIU-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)-2-[4-(benzylideneamino)phenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1637 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.17098 204.3
[M+Na]+ 439.15292 212.6
[M-H]- 415.15642 215.8
[M+NH4]+ 434.19752 211.5
[M+K]+ 455.12686 203.4
[M+H-H2O]+ 399.16096 190.2
[M+HCOO]- 461.16190 226.3
[M+CH3COO]- 475.17755 213.0
[M+Na-2H]- 437.13837 210.1
[M]+ 416.16315 202.9
[M]- 416.16425 202.9
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.