CID 3068396

Brn 4607403

Structural Information

Molecular Formula
C26H24N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=O)N2C(CC4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C26H24N2O6/c1-32-21-14-17(15-22(33-2)23(21)34-3)24-27-19-12-8-7-11-18(19)25(29)28(24)20(26(30)31)13-16-9-5-4-6-10-16/h4-12,14-15,20H,13H2,1-3H3,(H,30,31)
InChIKey
MDPWVKVOCNNZLO-UHFFFAOYSA-N
Compound name
2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.16342 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.17070 210.7
[M+Na]+ 483.15264 226.5
[M+NH4]+ 478.19724 215.4
[M+K]+ 499.12658 219.7
[M-H]- 459.15614 215.0
[M+Na-2H]- 481.13809 218.2
[M]+ 460.16287 214.2
[M]- 460.16397 214.2
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.