CID 34624

Oxitriptyline

Structural Information

Molecular Formula
C19H21NO2
SMILES
CN(C)C(=O)COC1C2=CC=CC=C2CCC3=CC=CC=C13
InChI
InChI=1S/C19H21NO2/c1-20(2)18(21)13-22-19-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)19/h3-10,19H,11-13H2,1-2H3
InChIKey
VBEZUCAXMREMFB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

295.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 166.7
[M+Na]+ 318.14645 171.6
[M-H]- 294.14995 174.1
[M+NH4]+ 313.19105 183.5
[M+K]+ 334.12039 173.0
[M+H-H2O]+ 278.15449 161.1
[M+HCOO]- 340.15543 186.8
[M+CH3COO]- 354.17108 210.8
[M+Na-2H]- 316.13190 171.8
[M]+ 295.15668 165.9
[M]- 295.15778 165.9
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