CID 207523

6-ethyl-5,7,12,13-tetrahydro-6h-dibenz(c,g)azonine maleate

Structural Information

Molecular Formula
C18H21N
SMILES
CCN1CC2=CC=CC=C2CCC3=CC=CC=C3C1
InChI
InChI=1S/C18H21N/c1-2-19-13-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)14-19/h3-10H,2,11-14H2,1H3
InChIKey
CUWZVTCKLFWXAO-UHFFFAOYSA-N
Compound name
6-ethyl-5,7,12,13-tetrahydrobenzo[d][2]benzazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.1674 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17468 191.7
[M+Na]+ 274.15662 190.1
[M-H]- 250.16012 190.2
[M+NH4]+ 269.20122 190.5
[M+K]+ 290.13056 189.7
[M+H-H2O]+ 234.16466 181.8
[M+HCOO]- 296.16560 191.2
[M+CH3COO]- 310.18125 191.9
[M+Na-2H]- 272.14207 193.0
[M]+ 251.16685 190.7
[M]- 251.16795 190.7
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.