CID 50626

69757-77-3

Structural Information

Molecular Formula
C20H28ClNO
SMILES
CCCCN(CCCC)CC(C1=CC=CC2=C1C=CC(=C2)Cl)O
InChI
InChI=1S/C20H28ClNO/c1-3-5-12-22(13-6-4-2)15-20(23)19-9-7-8-16-14-17(21)10-11-18(16)19/h7-11,14,20,23H,3-6,12-13,15H2,1-2H3
InChIKey
IVEOCLBMEDSEPU-UHFFFAOYSA-N
Compound name
1-(6-chloronaphthalen-1-yl)-2-(dibutylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.18594 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.19322 183.1
[M+Na]+ 356.17516 188.4
[M-H]- 332.17866 186.3
[M+NH4]+ 351.21976 198.8
[M+K]+ 372.14910 182.6
[M+H-H2O]+ 316.18320 176.2
[M+HCOO]- 378.18414 198.5
[M+CH3COO]- 392.19979 216.2
[M+Na-2H]- 354.16061 184.5
[M]+ 333.18539 188.1
[M]- 333.18649 188.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.