CID 1414121

4-morpholinoquinazoline-7-carboxylic acid

Structural Information

Molecular Formula
C13H13N3O3
SMILES
C1COCCN1C2=NC=NC3=C2C=CC(=C3)C(=O)O
InChI
InChI=1S/C13H13N3O3/c17-13(18)9-1-2-10-11(7-9)14-8-15-12(10)16-3-5-19-6-4-16/h1-2,7-8H,3-6H2,(H,17,18)
InChIKey
XQJHISFKIXDERQ-UHFFFAOYSA-N
Compound name
4-morpholin-4-ylquinazoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0957 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10298 158.1
[M+Na]+ 282.08492 171.6
[M+NH4]+ 277.12952 164.8
[M+K]+ 298.05886 166.2
[M-H]- 258.08842 161.2
[M+Na-2H]- 280.07037 163.9
[M]+ 259.09515 160.7
[M]- 259.09625 160.7
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.