CID 2997888

850021-30-6

Structural Information

Molecular Formula
C13H22N4O
SMILES
CN1CCC2(CC1)NC3=C(CCN(C3)C)C(=O)N2
InChI
InChI=1S/C13H22N4O/c1-16-7-4-13(5-8-16)14-11-9-17(2)6-3-10(11)12(18)15-13/h14H,3-9H2,1-2H3,(H,15,18)
InChIKey
ORSVCYWWCJMIQX-UHFFFAOYSA-N
Compound name
1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

250.17937 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.18665 165.6
[M+Na]+ 273.16859 170.8
[M-H]- 249.17209 162.6
[M+NH4]+ 268.21319 179.0
[M+K]+ 289.14253 165.3
[M+H-H2O]+ 233.17663 155.9
[M+HCOO]- 295.17757 171.7
[M+CH3COO]- 309.19322 172.8
[M+Na-2H]- 271.15404 168.1
[M]+ 250.17882 154.4
[M]- 250.17992 154.4
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

No patent data available for this compound.