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 174.8
[M+Na]+ 345.12096 182.1
[M-H]- 321.12446 178.5
[M+NH4]+ 340.16556 186.1
[M+K]+ 361.09490 177.4
[M+H-H2O]+ 305.12900 165.3
[M+HCOO]- 367.12994 190.8
[M+CH3COO]- 381.14559 208.5
[M+Na-2H]- 343.10641 177.5
[M]+ 322.13119 175.6
[M]- 322.13229 175.6
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.