CID 190932

2,11-dihydroxytrimipramine

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CC(CN1C2=C(C=C(C=C2)O)C(CC3=CC=CC=C31)O)CN(C)C
InChI
InChI=1S/C20H26N2O2/c1-14(12-21(2)3)13-22-18-7-5-4-6-15(18)10-20(24)17-11-16(23)8-9-19(17)22/h4-9,11,14,20,23-24H,10,12-13H2,1-3H3
InChIKey
HPSQNATYIDAHCR-UHFFFAOYSA-N
Compound name
11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepine-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 176.5
[M+Na]+ 349.18865 186.8
[M+NH4]+ 344.23325 183.5
[M+K]+ 365.16259 181.6
[M-H]- 325.19215 178.9
[M+Na-2H]- 347.17410 180.4
[M]+ 326.19888 178.6
[M]- 326.19998 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.