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]+ 248.175736 157.8
[M+Na]+ 270.157678 161.5
[M-H]- 246.161184 159.7
[M+NH4]+ 265.202283 169.9
[M+K]+ 286.131618 160.4
[M+H-H2O]+ 230.165720 147.7
[M+HCOO]- 292.166661 169.4
[M+CH3COO]- 306.182311 166.2
[M+Na-2H]- 268.143126 161.4
[M]+ 247.16791142 147.0
[M]- 247.16900858 147.0
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

No patent data available for this compound.