CID 135403809

58677-06-8

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CC1=CC2=C(C=C1)N=C(NC2=O)NC(=O)C(C)(C)C
InChI
InChI=1S/C14H17N3O2/c1-8-5-6-10-9(7-8)11(18)16-13(15-10)17-12(19)14(2,3)4/h5-7H,1-4H3,(H2,15,16,17,18,19)
InChIKey
RECSOKOLCCTIMD-UHFFFAOYSA-N
Compound name
2,2-dimethyl-N-(6-methyl-4-oxo-3H-quinazolin-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

259.13208 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.139356 160.9
[M+Na]+ 282.121298 169.9
[M-H]- 258.124804 162.1
[M+NH4]+ 277.165903 175.8
[M+K]+ 298.095238 165.6
[M+H-H2O]+ 242.129340 153.7
[M+HCOO]- 304.130281 178.7
[M+CH3COO]- 318.145931 197.6
[M+Na-2H]- 280.106746 167.2
[M]+ 259.13153142 161.2
[M]- 259.13262858 161.2
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

patents stripe