CID 135618189

Brn 0799493

Structural Information

Molecular Formula
C14H21N3O
SMILES
C1CCC2=C(CC1)N=C(NC2=O)N3CCCCC3
InChI
InChI=1S/C14H21N3O/c18-13-11-7-3-1-4-8-12(11)15-14(16-13)17-9-5-2-6-10-17/h1-10H2,(H,15,16,18)
InChIKey
GLKUIWQFTRKULI-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 159.4
[M+Na]+ 270.15768 169.6
[M+NH4]+ 265.20228 166.4
[M+K]+ 286.13162 164.1
[M-H]- 246.16118 161.5
[M+Na-2H]- 268.14313 164.5
[M]+ 247.16791 161.3
[M]- 247.16901 161.3
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

No patent data available for this compound.