CID 110645

Alpha-(diethylaminomethyl)-3-phenanthrenemethanol hydrochloride

Structural Information

Molecular Formula
C20H23NO
SMILES
CCN(CC)CC(C1=CC2=C(C=C1)C3=CC=CC=C3C=C2)O
InChI
InChI=1S/C20H23NO/c1-3-21(4-2)14-20(22)17-11-12-19-16(13-17)10-9-15-7-5-6-8-18(15)19/h5-13,20,22H,3-4,14H2,1-2H3
InChIKey
IXRRMAYEBUOWMD-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-phenanthren-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 170.4
[M+Na]+ 316.16720 176.9
[M-H]- 292.17070 175.4
[M+NH4]+ 311.21180 187.5
[M+K]+ 332.14114 172.3
[M+H-H2O]+ 276.17524 162.4
[M+HCOO]- 338.17618 191.3
[M+CH3COO]- 352.19183 210.1
[M+Na-2H]- 314.15265 176.4
[M]+ 293.17743 173.1
[M]- 293.17853 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.