CID 3068395

Brn 4598020

Structural Information

Molecular Formula
C23H26N2O6
SMILES
CC(C)CC(C(=O)O)N1C(=NC2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H26N2O6/c1-13(2)10-17(23(27)28)25-21(24-16-9-7-6-8-15(16)22(25)26)14-11-18(29-3)20(31-5)19(12-14)30-4/h6-9,11-13,17H,10H2,1-5H3,(H,27,28)
InChIKey
QTBFJDMTKNPTFD-UHFFFAOYSA-N
Compound name
4-methyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.17908 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.18636 201.1
[M+Na]+ 449.16830 214.4
[M+NH4]+ 444.21290 205.0
[M+K]+ 465.14224 209.6
[M-H]- 425.17180 202.3
[M+Na-2H]- 447.15375 205.1
[M]+ 426.17853 203.2
[M]- 426.17963 203.2
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.