CID 205511

Dibenz(c,f)azocine-6(5h)-propanol, 7,12-dihydro-, hydrobromide

Structural Information

Molecular Formula
C18H21NO
SMILES
C1C2=CC=CC=C2CN(CC3=CC=CC=C31)CCCO
InChI
InChI=1S/C18H21NO/c20-11-5-10-19-13-17-8-3-1-6-15(17)12-16-7-2-4-9-18(16)14-19/h1-4,6-9,20H,5,10-14H2
InChIKey
HSASOBHPNIPKLV-UHFFFAOYSA-N
Compound name
3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 161.8
[M+Na]+ 290.15154 166.4
[M-H]- 266.15504 162.9
[M+NH4]+ 285.19614 169.3
[M+K]+ 306.12548 164.7
[M+H-H2O]+ 250.15958 157.2
[M+HCOO]- 312.16052 169.2
[M+CH3COO]- 326.17617 165.7
[M+Na-2H]- 288.13699 162.5
[M]+ 267.16177 161.0
[M]- 267.16287 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

No patent data available for this compound.