CID 3034352

Naltropine

Structural Information

Molecular Formula
C19H25NO3
SMILES
C=CCN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
InChI
InChI=1S/C19H25NO3/c1-2-10-20-15-8-9-16(20)12-17(11-15)23-19(22)18(13-21)14-6-4-3-5-7-14/h2-7,15-18,21H,1,8-13H2
InChIKey
LSNYUHIYIPLFNS-UHFFFAOYSA-N
Compound name
(8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

315.18344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 177.7
[M+Na]+ 338.17266 180.7
[M-H]- 314.17616 179.5
[M+NH4]+ 333.21726 192.9
[M+K]+ 354.14660 176.4
[M+H-H2O]+ 298.18070 170.1
[M+HCOO]- 360.18164 191.0
[M+CH3COO]- 374.19729 205.1
[M+Na-2H]- 336.15811 176.3
[M]+ 315.18289 175.2
[M]- 315.18399 175.2
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

patents stripe