CID 205507

Dibenz(c,f)azocine, 6-butyl-5,6,7,12-tetrahydro-, hydrobromide

Structural Information

Molecular Formula
C19H23N
SMILES
CCCCN1CC2=CC=CC=C2CC3=CC=CC=C3C1
InChI
InChI=1S/C19H23N/c1-2-3-12-20-14-18-10-6-4-8-16(18)13-17-9-5-7-11-19(17)15-20/h4-11H,2-3,12-15H2,1H3
InChIKey
SIDWRIPTGJTGBE-UHFFFAOYSA-N
Compound name
11-butyl-10,12-dihydro-5H-benzo[d][2]benzazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.18304 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.190316 163.3
[M+Na]+ 288.172258 167.8
[M-H]- 264.175764 164.8
[M+NH4]+ 283.216863 171.0
[M+K]+ 304.146198 166.1
[M+H-H2O]+ 248.180300 158.4
[M+HCOO]- 310.181241 171.0
[M+CH3COO]- 324.196891 167.2
[M+Na-2H]- 286.157706 163.7
[M]+ 265.18249142 162.6
[M]- 265.18358858 162.6
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.