CID 115487

Ethanol, 2-dimethylamino-1-(phenanthr-3''-yl)-, hydrochloride

Structural Information

Molecular Formula
C18H19NO
SMILES
CN(C)CC(C1=CC2=C(C=C1)C3=CC=CC=C3C=C2)O
InChI
InChI=1S/C18H19NO/c1-19(2)12-18(20)15-9-10-17-14(11-15)8-7-13-5-3-4-6-16(13)17/h3-11,18,20H,12H2,1-2H3
InChIKey
HZNONPMITFXVCP-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-phenanthren-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14667 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.153946 160.8
[M+Na]+ 288.135888 168.3
[M-H]- 264.139394 166.2
[M+NH4]+ 283.180493 179.1
[M+K]+ 304.109828 164.1
[M+H-H2O]+ 248.143930 153.3
[M+HCOO]- 310.144871 182.5
[M+CH3COO]- 324.160521 172.8
[M+Na-2H]- 286.121336 168.0
[M]+ 265.14612142 162.9
[M]- 265.14721858 162.9
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.