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]+ 268.169596 161.8
[M+Na]+ 290.151538 166.4
[M-H]- 266.155044 162.9
[M+NH4]+ 285.196143 169.3
[M+K]+ 306.125478 164.7
[M+H-H2O]+ 250.159580 157.2
[M+HCOO]- 312.160521 169.2
[M+CH3COO]- 326.176171 165.7
[M+Na-2H]- 288.136986 162.5
[M]+ 267.16177142 161.0
[M]- 267.16286858 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.