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]+ 294.185256 167.7
[M+Na]+ 316.167198 172.3
[M-H]- 292.170704 168.4
[M+NH4]+ 311.211803 188.8
[M+K]+ 332.141138 166.4
[M+H-H2O]+ 276.175240 159.1
[M+HCOO]- 338.176181 179.9
[M+CH3COO]- 352.191831 176.7
[M+Na-2H]- 314.152646 177.9
[M]+ 293.17743142 169.1
[M]- 293.17852858 169.1
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.