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 159.6
[M+Na]+ 286.12022 167.8
[M-H]- 262.12372 166.5
[M+NH4]+ 281.16482 178.7
[M+K]+ 302.09416 163.9
[M+H-H2O]+ 246.12826 151.8
[M+HCOO]- 308.12920 183.0
[M+CH3COO]- 322.14485 172.4
[M+Na-2H]- 284.10567 167.3
[M]+ 263.13045 162.8
[M]- 263.13155 162.8
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.