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 200.9
[M+Na]+ 449.16830 208.2
[M-H]- 425.17180 204.9
[M+NH4]+ 444.21290 208.3
[M+K]+ 465.14224 205.5
[M+H-H2O]+ 409.17634 190.6
[M+HCOO]- 471.17728 215.9
[M+CH3COO]- 485.19293 230.7
[M+Na-2H]- 447.15375 199.8
[M]+ 426.17853 208.5
[M]- 426.17963 208.5
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.