CID 116466

3-phenanthrenecarbonylmethylamine, n,n-diethyl-, hydrochloride

Structural Information

Molecular Formula
C20H21NO
SMILES
CCN(CC)CC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1
InChI
InChI=1S/C20H21NO/c1-3-21(4-2)14-20(22)17-12-11-16-10-9-15-7-5-6-8-18(15)19(16)13-17/h5-13H,3-4,14H2,1-2H3
InChIKey
DDIWQDAPTNGXCO-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-phenanthren-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16232 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 168.8
[M+Na]+ 314.15154 184.3
[M+NH4]+ 309.19614 178.7
[M+K]+ 330.12548 174.8
[M-H]- 290.15504 174.2
[M+Na-2H]- 312.13699 177.2
[M]+ 291.16177 172.8
[M]- 291.16287 172.8
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.