CID 3050929

Alpha-methyl-5,7,12,13-tetrahydro-6h-dibenz(c,g)azonine-6-ethanol

Structural Information

Molecular Formula
C19H23NO
SMILES
CC(CO)N1CC2=CC=CC=C2CCC3=CC=CC=C3C1
InChI
InChI=1S/C19H23NO/c1-15(14-21)20-12-18-8-4-2-6-16(18)10-11-17-7-3-5-9-19(17)13-20/h2-9,15,21H,10-14H2,1H3
InChIKey
INTZVCALLVRORI-UHFFFAOYSA-N
Compound name
2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 195.9
[M+Na]+ 304.167198 194.0
[M-H]- 280.170704 194.4
[M+NH4]+ 299.211803 194.6
[M+K]+ 320.141138 193.6
[M+H-H2O]+ 264.175240 185.8
[M+HCOO]- 326.176181 195.2
[M+CH3COO]- 340.191831 195.9
[M+Na-2H]- 302.152646 196.8
[M]+ 281.17743142 194.8
[M]- 281.17852858 194.8
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.