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 179.1
[M+Na]+ 343.15475 183.9
[M-H]- 319.15825 183.8
[M+NH4]+ 338.19935 195.3
[M+K]+ 359.12869 177.7
[M+H-H2O]+ 303.16279 171.3
[M+HCOO]- 365.16373 191.3
[M+CH3COO]- 379.17938 208.9
[M+Na-2H]- 341.14020 177.8
[M]+ 320.16498 176.5
[M]- 320.16608 176.5
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.