CID 116468

3-phenanthrenecarbonylmethylamine, n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C18H17NO
SMILES
CN(C)CC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1
InChI
InChI=1S/C18H17NO/c1-19(2)12-18(20)15-10-9-14-8-7-13-5-3-4-6-16(13)17(14)11-15/h3-11H,12H2,1-2H3
InChIKey
QUSNDDMSGQEYTJ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-phenanthren-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.131 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13828 159.5
[M+Na]+ 286.12022 175.5
[M+NH4]+ 281.16482 169.8
[M+K]+ 302.09416 166.4
[M-H]- 262.12372 165.0
[M+Na-2H]- 284.10567 168.5
[M]+ 263.13045 163.6
[M]- 263.13155 163.6
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.