CID 205596

5,6,7,12-tetrahydro-6-isopropyl-dibenz(c,f)azocine maleate

Structural Information

Molecular Formula
C18H21N
SMILES
CC(C)N1CC2=CC=CC=C2CC3=CC=CC=C3C1
InChI
InChI=1S/C18H21N/c1-14(2)19-12-17-9-5-3-7-15(17)11-16-8-4-6-10-18(16)13-19/h3-10,14H,11-13H2,1-2H3
InChIKey
HVEYCSQGCPNDDM-UHFFFAOYSA-N
Compound name
11-propan-2-yl-10,12-dihydro-5H-benzo[d][2]benzazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.1674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17468 161.0
[M+Na]+ 274.15662 165.6
[M+NH4]+ 269.20122 164.2
[M+K]+ 290.13056 163.4
[M-H]- 250.16012 162.3
[M+Na-2H]- 272.14207 163.8
[M]+ 251.16685 162.0
[M]- 251.16795 162.0
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

patents stripe