CID 3079357

2-n-ethyl-3,4-naphtho-6,7-benzomorphan

Structural Information

Molecular Formula
C22H21N
SMILES
CCN1C2CC(C3=CC=CC=C3C2)C4=C1C=CC5=CC=CC=C54
InChI
InChI=1S/C22H21N/c1-2-23-17-13-16-8-4-5-9-18(16)20(14-17)22-19-10-6-3-7-15(19)11-12-21(22)23/h3-12,17,20H,2,13-14H2,1H3
InChIKey
HYOMRZSTZIMUIF-UHFFFAOYSA-N
Compound name
12-ethyl-12-azapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3,5,7,9,15,17,19-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1674 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17468 169.8
[M+Na]+ 322.15662 177.2
[M-H]- 298.16012 173.0
[M+NH4]+ 317.20122 187.8
[M+K]+ 338.13056 169.4
[M+H-H2O]+ 282.16466 159.5
[M+HCOO]- 344.16560 182.5
[M+CH3COO]- 358.18125 179.5
[M+Na-2H]- 320.14207 177.5
[M]+ 299.16685 167.7
[M]- 299.16795 167.7
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.