CID 217713

Brn 1687474

Structural Information

Molecular Formula
C18H25ClN2O
SMILES
CC1=C(C=CC=C1Cl)NC(=O)CCN2CCC[C@@H]3[C@@H]2CCC3
InChI
InChI=1S/C18H25ClN2O/c1-13-15(19)7-3-8-16(13)20-18(22)10-12-21-11-4-6-14-5-2-9-17(14)21/h3,7-8,14,17H,2,4-6,9-12H2,1H3,(H,20,22)/t14-,17+/m1/s1
InChIKey
FXKALRZPDRNRSI-PBHICJAKSA-N
Compound name
3-[(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.16553 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17281 176.6
[M+Na]+ 343.15475 187.7
[M+NH4]+ 338.19935 185.3
[M+K]+ 359.12869 181.2
[M-H]- 319.15825 180.6
[M+Na-2H]- 341.14020 181.0
[M]+ 320.16498 179.4
[M]- 320.16608 179.4
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.