CID 50205

68501-50-8

Structural Information

Molecular Formula
C24H21N3O4
SMILES
C1=CC=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)O)O
InChI
InChI=1S/C24H21N3O4/c28-20-11-10-16(14-21(20)29)12-13-27-22(15-25-23(30)17-6-2-1-3-7-17)26-19-9-5-4-8-18(19)24(27)31/h1-11,14,28-29H,12-13,15H2,(H,25,30)
InChIKey
KJVVLWOXGCUVHD-UHFFFAOYSA-N
Compound name
N-[[3-[2-(3,4-dihydroxyphenyl)ethyl]-4-oxoquinazolin-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1532 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.160476 199.8
[M+Na]+ 438.142418 206.7
[M-H]- 414.145924 205.3
[M+NH4]+ 433.187023 206.0
[M+K]+ 454.116358 199.7
[M+H-H2O]+ 398.150460 188.1
[M+HCOO]- 460.151401 216.7
[M+CH3COO]- 474.167051 207.5
[M+Na-2H]- 436.127866 203.4
[M]+ 415.15265142 200.3
[M]- 415.15374858 200.3
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.