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]+ 259.107706 163.0
[M+Na]+ 281.089648 173.8
[M-H]- 257.093154 167.5
[M+NH4]+ 276.134253 172.9
[M+K]+ 297.063588 168.0
[M+H-H2O]+ 241.097690 154.7
[M+HCOO]- 303.098631 181.9
[M+CH3COO]- 317.114281 196.9
[M+Na-2H]- 279.075096 167.6
[M]+ 258.09988142 166.8
[M]- 258.10097858 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.