CID 205547

5,6-dihydro-7h,12h,6-(2-hydroxypropyl)dibenz(c,f)azocine maleate

Structural Information

Molecular Formula
C18H21NO
SMILES
CC(CN1CC2=CC=CC=C2CC3=CC=CC=C3C1)O
InChI
InChI=1S/C18H21NO/c1-14(20)11-19-12-17-8-4-2-6-15(17)10-16-7-3-5-9-18(16)13-19/h2-9,14,20H,10-13H2,1H3
InChIKey
VJCXSYFTKOSKRW-UHFFFAOYSA-N
Compound name
1-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 163.0
[M+Na]+ 290.15154 167.4
[M-H]- 266.15504 164.1
[M+NH4]+ 285.19614 170.4
[M+K]+ 306.12548 166.0
[M+H-H2O]+ 250.15958 158.4
[M+HCOO]- 312.16052 169.9
[M+CH3COO]- 326.17617 166.8
[M+Na-2H]- 288.13699 163.0
[M]+ 267.16177 161.8
[M]- 267.16287 161.8
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.