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 205.8
[M+Na]+ 458.14752 212.7
[M-H]- 434.15102 215.3
[M+NH4]+ 453.19212 211.1
[M+K]+ 474.12146 205.2
[M+H-H2O]+ 418.15556 192.3
[M+HCOO]- 480.15650 223.6
[M+CH3COO]- 494.17215 213.5
[M+Na-2H]- 456.13297 210.4
[M]+ 435.15775 205.3
[M]- 435.15885 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.