CID 56894

95424-17-2

Structural Information

Molecular Formula
C19H20ClN
SMILES
CCN(CCCl)CC1=C2C=CC=CC2=CC3=CC=CC=C31
InChI
InChI=1S/C19H20ClN/c1-2-21(12-11-20)14-19-17-9-5-3-7-15(17)13-16-8-4-6-10-18(16)19/h3-10,13H,2,11-12,14H2,1H3
InChIKey
CLWHBZKQDPUJEU-UHFFFAOYSA-N
Compound name
N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.12842 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13570 168.6
[M+Na]+ 320.11764 186.1
[M+NH4]+ 315.16224 179.9
[M+K]+ 336.09158 174.5
[M-H]- 296.12114 175.1
[M+Na-2H]- 318.10309 178.2
[M]+ 297.12787 173.7
[M]- 297.12897 173.7
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.