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]+ 417.170976 204.3
[M+Na]+ 439.152918 212.6
[M-H]- 415.156424 215.8
[M+NH4]+ 434.197523 211.5
[M+K]+ 455.126858 203.4
[M+H-H2O]+ 399.160960 190.2
[M+HCOO]- 461.161901 226.3
[M+CH3COO]- 475.177551 213.0
[M+Na-2H]- 437.138366 210.1
[M]+ 416.16315142 202.9
[M]- 416.16424858 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.