CID 3040614

52664-18-3

Structural Information

Molecular Formula
C19H28N2O2
SMILES
CCC(C(=O)N)C1(CCN(CC1)C2CCC3=CC=CC=C3C2)O
InChI
InChI=1S/C19H28N2O2/c1-2-17(18(20)22)19(23)9-11-21(12-10-19)16-8-7-14-5-3-4-6-15(14)13-16/h3-6,16-17,23H,2,7-13H2,1H3,(H2,20,22)
InChIKey
VLEBMBYDUOAPKR-UHFFFAOYSA-N
Compound name
2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2151 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.222376 178.5
[M+Na]+ 339.204318 180.3
[M-H]- 315.207824 180.8
[M+NH4]+ 334.248923 192.5
[M+K]+ 355.178258 176.1
[M+H-H2O]+ 299.212360 170.0
[M+HCOO]- 361.213301 189.7
[M+CH3COO]- 375.228951 208.0
[M+Na-2H]- 337.189766 178.3
[M]+ 316.21455142 169.8
[M]- 316.21564858 169.8
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.