CID 63509

Brn 0861120

Structural Information

Molecular Formula
C27H21N3O3
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N(CC4=CC(=C(C=C4)O)O)C5=CC=CC=C5
InChI
InChI=1S/C27H21N3O3/c31-24-16-15-19(17-25(24)32)18-29(21-11-5-2-6-12-21)30-26(20-9-3-1-4-10-20)28-23-14-8-7-13-22(23)27(30)33/h1-17,31-32H,18H2
InChIKey
HWRZOCHOLXHNGM-UHFFFAOYSA-N
Compound name
3-[N-[(3,4-dihydroxyphenyl)methyl]anilino]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.1583 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.16558 207.8
[M+Na]+ 458.14752 226.5
[M+NH4]+ 453.19212 215.1
[M+K]+ 474.12146 216.6
[M-H]- 434.15102 216.9
[M+Na-2H]- 456.13297 220.4
[M]+ 435.15775 213.4
[M]- 435.15885 213.4
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.