CID 154699869

10-hydroxytrimipramine

Structural Information

Molecular Formula

C₂₀H₂₆N₂O

SMILES

CC(CN1C2=CC=CC=C2CC(C3=CC=CC=C31)O)CN(C)C

InChI

InChI=1S/C20H26N2O/c1-15(13-21(2)3)14-22-18-10-6-4-8-16(18)12-20(23)17-9-5-7-11-19(17)22/h4-11,15,20,23H,12-14H2,1-3H3

InChIKey

PBUTZRBWGXMKPS-UHFFFAOYSA-N

Compound name

11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 310.2045 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	311.211776	173.6
[M+Na]+	333.193718	178.4
[M-H]-	309.197224	178.4
[M+NH4]+	328.238323	188.2
[M+K]+	349.167658	178.7
[M+H-H2O]+	293.201760	166.7
[M+HCOO]-	355.202701	190.3
[M+CH3COO]-	369.218351	183.3
[M+Na-2H]-	331.179166	177.1
[M]+	310.20395142	171.6
[M]-	310.20504858	171.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.