CID 135624096

100700-46-7

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CCC(C1=NC2=CC=CC=C2C(=O)N1)C(=O)N
InChI
InChI=1S/C12H13N3O2/c1-2-7(10(13)16)11-14-9-6-4-3-5-8(9)12(17)15-11/h3-7H,2H2,1H3,(H2,13,16)(H,14,15,17)
InChIKey
YNOVMPQIPZAMBN-UHFFFAOYSA-N
Compound name
2-(4-oxo-3H-quinazolin-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

231.10077 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 150.8
[M+Na]+ 254.08999 158.8
[M-H]- 230.09349 151.1
[M+NH4]+ 249.13459 165.8
[M+K]+ 270.06393 154.6
[M+H-H2O]+ 214.09803 143.1
[M+HCOO]- 276.09897 169.3
[M+CH3COO]- 290.11462 191.6
[M+Na-2H]- 252.07544 155.9
[M]+ 231.10022 149.0
[M]- 231.10132 149.0
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

patents stripe