CID 50206

68501-56-4

Structural Information

Molecular Formula
C24H20BrN3O4
SMILES
C1=CC=C(C=C1)C(=O)NCC2=NC3=C(C=CC=C3Br)C(=O)N2CCC4=CC(=C(C=C4)O)O
InChI
InChI=1S/C24H20BrN3O4/c25-18-8-4-7-17-22(18)27-21(14-26-23(31)16-5-2-1-3-6-16)28(24(17)32)12-11-15-9-10-19(29)20(30)13-15/h1-10,13,29-30H,11-12,14H2,(H,26,31)
InChIKey
GNRPHOUVINMUQL-UHFFFAOYSA-N
Compound name
N-[[8-bromo-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

493.06372 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.07100 208.2
[M+Na]+ 516.05294 213.9
[M+NH4]+ 511.09754 210.2
[M+K]+ 532.02688 212.2
[M-H]- 492.05644 211.3
[M+Na-2H]- 514.03839 212.3
[M]+ 493.06317 208.7
[M]- 493.06427 208.7
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.