CID 205547

Dibenz(c,f)azocine-6(5h)-ethanol, 7,12-dihydro-alpha-methyl-, maleate (1:1)

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]+ 268.169596 163.0
[M+Na]+ 290.151538 167.4
[M-H]- 266.155044 164.1
[M+NH4]+ 285.196143 170.4
[M+K]+ 306.125478 166.0
[M+H-H2O]+ 250.159580 158.4
[M+HCOO]- 312.160521 169.9
[M+CH3COO]- 326.176171 166.8
[M+Na-2H]- 288.136986 163.0
[M]+ 267.16177142 161.8
[M]- 267.16286858 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.