CID 20313

Amitriptylinoxide

Structural Information

Molecular Formula
C20H23NO
SMILES
C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[O-]
InChI
InChI=1S/C20H23NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
InChIKey
ZPMKQFOGINQDAM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

37
References

2961
Patents

293.17798 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 170.3
[M+Na]+ 316.16720 174.7
[M-H]- 292.17070 176.1
[M+NH4]+ 311.21180 186.5
[M+K]+ 332.14114 169.1
[M+H-H2O]+ 276.17524 169.7
[M+HCOO]- 338.17618 189.0
[M+CH3COO]- 352.19183 201.4
[M+Na-2H]- 314.15265 178.5
[M]+ 293.17743 165.2
[M]- 293.17853 165.2
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

patents stripe