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]+ 279.14918 157.1
[M+Na]+ 301.13112 165.7
[M-H]- 277.13462 165.7
[M+NH4]+ 296.17572 171.0
[M+K]+ 317.10506 164.2
[M+H-H2O]+ 261.13916 151.9
[M+HCOO]- 323.14010 179.4
[M+CH3COO]- 337.15575 168.8
[M+Na-2H]- 299.11657 165.6
[M]+ 278.14135 158.2
[M]- 278.14245 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.