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 162.0
[M+Na]+ 274.15662 166.7
[M-H]- 250.16012 163.7
[M+NH4]+ 269.20122 170.0
[M+K]+ 290.13056 165.3
[M+H-H2O]+ 234.16466 157.3
[M+HCOO]- 296.16560 169.4
[M+CH3COO]- 310.18125 166.1
[M+Na-2H]- 272.14207 162.2
[M]+ 251.16685 161.0
[M]- 251.16795 161.0
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