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]+ 416.16048 199.8
[M+Na]+ 438.14242 206.7
[M-H]- 414.14592 205.3
[M+NH4]+ 433.18702 206.0
[M+K]+ 454.11636 199.7
[M+H-H2O]+ 398.15046 188.1
[M+HCOO]- 460.15140 216.7
[M+CH3COO]- 474.16705 207.5
[M+Na-2H]- 436.12787 203.4
[M]+ 415.15265 200.3
[M]- 415.15375 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.