CID 3053636

70203-75-7

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CC(C)C(C(=O)N)N1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C19H19N3O2/c1-12(2)16(17(20)23)22-18(13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)19(22)24/h3-12,16H,1-2H3,(H2,20,23)
InChIKey
RGAUPAALROCGOV-UHFFFAOYSA-N
Compound name
3-methyl-2-(4-oxo-2-phenylquinazolin-3-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.14774 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 176.4
[M+Na]+ 344.13696 183.4
[M-H]- 320.14046 180.9
[M+NH4]+ 339.18156 187.9
[M+K]+ 360.11090 178.5
[M+H-H2O]+ 304.14500 166.5
[M+HCOO]- 366.14594 194.2
[M+CH3COO]- 380.16159 213.2
[M+Na-2H]- 342.12241 179.0
[M]+ 321.14719 176.0
[M]- 321.14829 176.0
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.