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 169.1
[M+Na]+ 320.11764 177.9
[M-H]- 296.12114 175.3
[M+NH4]+ 315.16224 187.9
[M+K]+ 336.09158 171.3
[M+H-H2O]+ 280.12568 161.7
[M+HCOO]- 342.12662 188.2
[M+CH3COO]- 356.14227 181.2
[M+Na-2H]- 318.10309 176.7
[M]+ 297.12787 174.9
[M]- 297.12897 174.9
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.