CID 9207808

4-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)butanoic acid

Structural Information

Molecular Formula
C14H16N2O5
SMILES
COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)O)OC
InChI
InChI=1S/C14H16N2O5/c1-20-11-6-9-10(7-12(11)21-2)15-8-16(14(9)19)5-3-4-13(17)18/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKey
KZQSTSRWNBBLFH-UHFFFAOYSA-N
Compound name
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10593 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 163.6
[M+Na]+ 315.09515 173.1
[M-H]- 291.09865 164.6
[M+NH4]+ 310.13975 177.0
[M+K]+ 331.06909 170.4
[M+H-H2O]+ 275.10319 155.4
[M+HCOO]- 337.10413 182.4
[M+CH3COO]- 351.11978 201.3
[M+Na-2H]- 313.08060 168.1
[M]+ 292.10538 169.9
[M]- 292.10648 169.9
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.