CID 7131753

3-(3-cyclopropyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid

Structural Information

Molecular Formula
C14H14N2O3
SMILES
C1CC1N2C(=NC3=CC=CC=C3C2=O)CCC(=O)O
InChI
InChI=1S/C14H14N2O3/c17-13(18)8-7-12-15-11-4-2-1-3-10(11)14(19)16(12)9-5-6-9/h1-4,9H,5-8H2,(H,17,18)
InChIKey
FZKXSCCECPVLLH-UHFFFAOYSA-N
Compound name
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

258.10043 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 163.0
[M+Na]+ 281.08965 173.8
[M-H]- 257.09315 167.5
[M+NH4]+ 276.13425 172.9
[M+K]+ 297.06359 168.0
[M+H-H2O]+ 241.09769 154.7
[M+HCOO]- 303.09863 181.9
[M+CH3COO]- 317.11428 196.9
[M+Na-2H]- 279.07510 167.6
[M]+ 258.09988 166.8
[M]- 258.10098 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.