CID 38207

Oxaprotiline

Structural Information

Molecular Formula
C20H23NO
SMILES
CNCC(CC12CCC(C3=CC=CC=C31)C4=CC=CC=C24)O
InChI
InChI=1S/C20H23NO/c1-21-13-14(22)12-20-11-10-15(16-6-2-4-8-18(16)20)17-7-3-5-9-19(17)20/h2-9,14-15,21-22H,10-13H2,1H3
InChIKey
FDXQKWSTUZCCTM-UHFFFAOYSA-N
Compound name
1-(methylamino)-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

116
References

3826
Patents

293.17798 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 167.8
[M+Na]+ 316.16720 171.1
[M-H]- 292.17070 168.0
[M+NH4]+ 311.21180 188.4
[M+K]+ 332.14114 165.6
[M+H-H2O]+ 276.17524 159.2
[M+HCOO]- 338.17618 178.9
[M+CH3COO]- 352.19183 176.3
[M+Na-2H]- 314.15265 177.4
[M]+ 293.17743 168.1
[M]- 293.17853 168.1
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

patents stripe