CID 115487

Alpha-(dimethylaminomethyl)-3-phenanthrenemethanol 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]+ 266.15395 160.8
[M+Na]+ 288.13589 168.3
[M-H]- 264.13939 166.2
[M+NH4]+ 283.18049 179.1
[M+K]+ 304.10983 164.1
[M+H-H2O]+ 248.14393 153.3
[M+HCOO]- 310.14487 182.5
[M+CH3COO]- 324.16052 172.8
[M+Na-2H]- 286.12134 168.0
[M]+ 265.14612 162.9
[M]- 265.14722 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.