CID 86125615

Maprotiline_2-oh

Structural Information

Molecular Formula
C20H23NO
SMILES
CNCCCC12CCC(C3=C1C=C(C=C3)O)C4=CC=CC=C24
InChI
InChI=1S/C20H23NO/c1-21-12-4-10-20-11-9-15(16-5-2-3-6-18(16)20)17-8-7-14(22)13-19(17)20/h2-3,5-8,13,15,21-22H,4,9-12H2,1H3
InChIKey
XEIQDMGVTYYHBG-UHFFFAOYSA-N
Compound name
1-[3-(methylamino)propyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 166.4
[M+Na]+ 316.16720 180.0
[M+NH4]+ 311.21180 179.4
[M+K]+ 332.14114 168.1
[M-H]- 292.17070 169.8
[M+Na-2H]- 314.15265 170.4
[M]+ 293.17743 169.7
[M]- 293.17853 169.7
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

No patent data available for this compound.