CID 108334

5-dimethylaminoacetyl-1,2,3,4,4a,5,6,11a,-octahydromorphanthridine hydrochloride

Structural Information

Molecular Formula
C18H26N2O
SMILES
CN(C)CC(=O)N1CC2=CC=CC=C2CC3C1CCCC3
InChI
InChI=1S/C18H26N2O/c1-19(2)13-18(21)20-12-16-9-4-3-7-14(16)11-15-8-5-6-10-17(15)20/h3-4,7,9,15,17H,5-6,8,10-13H2,1-2H3
InChIKey
GZTKHSOQMLEGGC-UHFFFAOYSA-N
Compound name
1-(1,2,3,4,4a,6,11,11a-octahydrobenzo[c][1]benzazepin-5-yl)-2-(dimethylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 167.5
[M+Na]+ 309.19372 176.4
[M+NH4]+ 304.23832 175.6
[M+K]+ 325.16766 170.8
[M-H]- 285.19722 170.5
[M+Na-2H]- 307.17917 171.3
[M]+ 286.20395 169.5
[M]- 286.20505 169.5
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.