CID 14151360

Trimipramine n-oxide

Structural Information

Molecular Formula
C20H26N2O
SMILES
CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)C[N+](C)(C)[O-]
InChI
InChI=1S/C20H26N2O/c1-16(15-22(2,3)23)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16H,12-15H2,1-3H3
InChIKey
UNOPAPJVNIQNJP-UHFFFAOYSA-N
Compound name
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

310.2045 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.211776 174.1
[M+Na]+ 333.193718 178.1
[M-H]- 309.197224 178.6
[M+NH4]+ 328.238323 188.4
[M+K]+ 349.167658 173.4
[M+H-H2O]+ 293.201760 172.0
[M+HCOO]- 355.202701 190.5
[M+CH3COO]- 369.218351 205.9
[M+Na-2H]- 331.179166 181.8
[M]+ 310.20395142 169.6
[M]- 310.20504858 169.6
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.