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]+ 266.19032 163.3
[M+Na]+ 288.17226 167.8
[M-H]- 264.17576 164.8
[M+NH4]+ 283.21686 171.0
[M+K]+ 304.14620 166.1
[M+H-H2O]+ 248.18030 158.4
[M+HCOO]- 310.18124 171.0
[M+CH3COO]- 324.19689 167.2
[M+Na-2H]- 286.15771 163.7
[M]+ 265.18249 162.6
[M]- 265.18359 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.