CID 3053646

70203-81-5

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CC(C)C(C(=O)O)N1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O3/c1-12(2)16(19(23)24)21-17(13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)18(21)22/h3-12,16H,1-2H3,(H,23,24)
InChIKey
MEBLADHKTGEFQB-UHFFFAOYSA-N
Compound name
3-methyl-2-(4-oxo-2-phenylquinazolin-3-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13902 174.4
[M+Na]+ 345.12096 189.0
[M+NH4]+ 340.16556 180.8
[M+K]+ 361.09490 182.8
[M-H]- 321.12446 177.0
[M+Na-2H]- 343.10641 181.5
[M]+ 322.13119 177.1
[M]- 322.13229 177.1
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.