CID 110645

Ethanol, 2-diethylamino-1-(phenanthr-3''-yl)-, 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]+ 294.185256 170.4
[M+Na]+ 316.167198 176.9
[M-H]- 292.170704 175.4
[M+NH4]+ 311.211803 187.5
[M+K]+ 332.141138 172.3
[M+H-H2O]+ 276.175240 162.4
[M+HCOO]- 338.176181 191.3
[M+CH3COO]- 352.191831 210.1
[M+Na-2H]- 314.152646 176.4
[M]+ 293.17743142 173.1
[M]- 293.17852858 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.