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]+ 436.165576 205.8
[M+Na]+ 458.147518 212.7
[M-H]- 434.151024 215.3
[M+NH4]+ 453.192123 211.1
[M+K]+ 474.121458 205.2
[M+H-H2O]+ 418.155560 192.3
[M+HCOO]- 480.156501 223.6
[M+CH3COO]- 494.172151 213.5
[M+Na-2H]- 456.132966 210.4
[M]+ 435.15775142 205.3
[M]- 435.15884858 205.3
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.