CID 44203

Mariptiline

Structural Information

Molecular Formula
C18H18N2O
SMILES
C1C2C1C3=CC=CC=C3C(=NOCCN)C4=CC=CC=C24
InChI
InChI=1S/C18H18N2O/c19-9-10-21-20-18-14-7-3-1-5-12(14)16-11-17(16)13-6-2-4-8-15(13)18/h1-8,16-17H,9-11,19H2
InChIKey
ZJUNTBVPKYZTPD-UHFFFAOYSA-N
Compound name
2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

278.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 157.1
[M+Na]+ 301.131118 165.7
[M-H]- 277.134624 165.7
[M+NH4]+ 296.175723 171.0
[M+K]+ 317.105058 164.2
[M+H-H2O]+ 261.139160 151.9
[M+HCOO]- 323.140101 179.4
[M+CH3COO]- 337.155751 168.8
[M+Na-2H]- 299.116566 165.6
[M]+ 278.14135142 158.2
[M]- 278.14244858 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.