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]+ 292.169596 169.3
[M+Na]+ 314.151538 176.5
[M-H]- 290.155044 175.7
[M+NH4]+ 309.196143 187.1
[M+K]+ 330.125478 172.1
[M+H-H2O]+ 274.159580 161.0
[M+HCOO]- 336.160521 191.9
[M+CH3COO]- 350.176171 211.8
[M+Na-2H]- 312.136986 175.7
[M]+ 291.16177142 173.1
[M]- 291.16286858 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.