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 167.7
[M+Na]+ 316.16720 172.3
[M-H]- 292.17070 168.4
[M+NH4]+ 311.21180 188.8
[M+K]+ 332.14114 166.4
[M+H-H2O]+ 276.17524 159.1
[M+HCOO]- 338.17618 179.9
[M+CH3COO]- 352.19183 176.7
[M+Na-2H]- 314.15265 177.9
[M]+ 293.17743 169.1
[M]- 293.17853 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.