CID 155639

Chinoin 127

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC1CCCC2N1C(=O)C(=CN2C)C(=O)N
InChI
InChI=1S/C11H17N3O2/c1-7-4-3-5-9-13(2)6-8(10(12)15)11(16)14(7)9/h6-7,9H,3-5H2,1-2H3,(H2,12,15)
InChIKey
PDYZVPFJLHCRGG-UHFFFAOYSA-N
Compound name
1,6-dimethyl-4-oxo-7,8,9,9a-tetrahydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

421
Patents

223.13208 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 151.5
[M+Na]+ 246.12130 158.5
[M-H]- 222.12480 152.4
[M+NH4]+ 241.16590 167.9
[M+K]+ 262.09524 155.8
[M+H-H2O]+ 206.12934 144.2
[M+HCOO]- 268.13028 166.9
[M+CH3COO]- 282.14593 194.1
[M+Na-2H]- 244.10675 153.2
[M]+ 223.13153 146.9
[M]- 223.13263 146.9
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