CID 3038430

Cis-n-(2,6-dichlorophenyl)octahydro-1h-pyrindine-1-propanamide monohydrochloride

Structural Information

Molecular Formula
C17H22Cl2N2O
SMILES
C1C[C@H]2CCCN([C@H]2C1)CCC(=O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H22Cl2N2O/c18-13-6-2-7-14(19)17(13)20-16(22)9-11-21-10-3-5-12-4-1-8-15(12)21/h2,6-7,12,15H,1,3-5,8-11H2,(H,20,22)/t12-,15-/m0/s1
InChIKey
BDLJKIQZFMVDPF-WFASDCNBSA-N
Compound name
3-[(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-N-(2,6-dichlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.11093 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11821 181.7
[M+Na]+ 363.10015 187.3
[M-H]- 339.10365 185.7
[M+NH4]+ 358.14475 197.5
[M+K]+ 379.07409 180.2
[M+H-H2O]+ 323.10819 174.4
[M+HCOO]- 385.10913 189.2
[M+CH3COO]- 399.12478 190.5
[M+Na-2H]- 361.08560 180.1
[M]+ 340.11038 180.0
[M]- 340.11148 180.0
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.