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]+ 427.186356 200.9
[M+Na]+ 449.168298 208.2
[M-H]- 425.171804 204.9
[M+NH4]+ 444.212903 208.3
[M+K]+ 465.142238 205.5
[M+H-H2O]+ 409.176340 190.6
[M+HCOO]- 471.177281 215.9
[M+CH3COO]- 485.192931 230.7
[M+Na-2H]- 447.153746 199.8
[M]+ 426.17853142 208.5
[M]- 426.17962858 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.