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
2
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

literature stripe

Patent stripe

patents stripe