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

2
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 150.3
[M+Na]+ 254.08999 162.3
[M+NH4]+ 249.13459 156.7
[M+K]+ 270.06393 157.3
[M-H]- 230.09349 150.8
[M+Na-2H]- 252.07544 155.2
[M]+ 231.10022 151.8
[M]- 231.10132 151.8
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