CID 3045212

3,4,6,11,12,12a-hexahydro-alpha-phenylpyrazino(1,2-b)(2)benzazepine-2-(1h)-ethanol 2hcl

Structural Information

Molecular Formula
C21H26N2O
SMILES
C1CC2=CC=CC=C2CN3C1CN(CC3)CC(C4=CC=CC=C4)O
InChI
InChI=1S/C21H26N2O/c24-21(18-7-2-1-3-8-18)16-22-12-13-23-14-19-9-5-4-6-17(19)10-11-20(23)15-22/h1-9,20-21,24H,10-16H2
InChIKey
BVJSLEKMLGHBEX-UHFFFAOYSA-N
Compound name
2-(2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepin-3-yl)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 180.0
[M+Na]+ 345.19372 191.3
[M+NH4]+ 340.23832 188.0
[M+K]+ 361.16766 184.1
[M-H]- 321.19722 184.0
[M+Na-2H]- 343.17917 185.6
[M]+ 322.20395 182.8
[M]- 322.20505 182.8
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.