CID 3038429

Cis-2,3,4,4a,5,6,7,7a-octahydro-1h-pyrindine-1-propiono-2',6'-xylidide hydrochloride

Structural Information

Molecular Formula
C19H28N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCN2CCC[C@H]3[C@@H]2CCC3
InChI
InChI=1S/C19H28N2O/c1-14-6-3-7-15(2)19(14)20-18(22)11-13-21-12-5-9-16-8-4-10-17(16)21/h3,6-7,16-17H,4-5,8-13H2,1-2H3,(H,20,22)/t16-,17-/m0/s1
InChIKey
YPCQSMVZCKBHFR-IRXDYDNUSA-N
Compound name
3-[(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-N-(2,6-dimethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 175.4
[M+Na]+ 323.20937 178.9
[M-H]- 299.21287 180.2
[M+NH4]+ 318.25397 191.6
[M+K]+ 339.18331 174.2
[M+H-H2O]+ 283.21741 167.0
[M+HCOO]- 345.21835 191.9
[M+CH3COO]- 359.23400 208.3
[M+Na-2H]- 321.19482 174.3
[M]+ 300.21960 170.9
[M]- 300.22070 170.9
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.