CID 9207808

878259-64-4

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]+ 293.113206 163.6
[M+Na]+ 315.095148 173.1
[M-H]- 291.098654 164.6
[M+NH4]+ 310.139753 177.0
[M+K]+ 331.069088 170.4
[M+H-H2O]+ 275.103190 155.4
[M+HCOO]- 337.104131 182.4
[M+CH3COO]- 351.119781 201.3
[M+Na-2H]- 313.080596 168.1
[M]+ 292.10538142 169.9
[M]- 292.10647858 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.