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
1
Annotation Hits

0
References

0
Patents

310.2045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 173.6
[M+Na]+ 333.19372 178.4
[M-H]- 309.19722 178.4
[M+NH4]+ 328.23832 188.2
[M+K]+ 349.16766 178.7
[M+H-H2O]+ 293.20176 166.7
[M+HCOO]- 355.20270 190.3
[M+CH3COO]- 369.21835 183.3
[M+Na-2H]- 331.17917 177.1
[M]+ 310.20395 171.6
[M]- 310.20505 171.6
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.