CID 1414121

941237-08-7

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]+ 260.102976 157.8
[M+Na]+ 282.084918 164.5
[M-H]- 258.088424 160.0
[M+NH4]+ 277.129523 168.7
[M+K]+ 298.058858 161.7
[M+H-H2O]+ 242.092960 147.8
[M+HCOO]- 304.093901 171.2
[M+CH3COO]- 318.109551 167.7
[M+Na-2H]- 280.070366 164.0
[M]+ 259.09515142 154.9
[M]- 259.09624858 154.9
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.