CID 39552

Brn 1493951

Structural Information

Molecular Formula
C19H28N2O2
SMILES
CC1(C2CCC1(C(=O)N(C2=O)CC#CCN3CCCCC3)C)C
InChI
InChI=1S/C19H28N2O2/c1-18(2)15-9-10-19(18,3)17(23)21(16(15)22)14-8-7-13-20-11-5-4-6-12-20/h15H,4-6,9-14H2,1-3H3
InChIKey
YAEPVNDPVUGYJN-UHFFFAOYSA-N
Compound name
1,8,8-trimethyl-3-(4-piperidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2151 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.222376 174.3
[M+Na]+ 339.204318 183.6
[M-H]- 315.207824 174.8
[M+NH4]+ 334.248923 191.5
[M+K]+ 355.178258 173.9
[M+H-H2O]+ 299.212360 161.1
[M+HCOO]- 361.213301 181.0
[M+CH3COO]- 375.228951 212.3
[M+Na-2H]- 337.189766 173.4
[M]+ 316.21455142 165.6
[M]- 316.21564858 165.6
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.