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]+ 311.21178 174.1
[M+Na]+ 333.19372 178.1
[M-H]- 309.19722 178.6
[M+NH4]+ 328.23832 188.4
[M+K]+ 349.16766 173.4
[M+H-H2O]+ 293.20176 172.0
[M+HCOO]- 355.20270 190.5
[M+CH3COO]- 369.21835 205.9
[M+Na-2H]- 331.17917 181.8
[M]+ 310.20395 169.6
[M]- 310.20505 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.