CID 114380

Lu 3-075

Structural Information

Molecular Formula
C20H24ClNO
SMILES
CC1(C2=CC=CC=C2C(O1)(CCCNC)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C20H24ClNO/c1-19(2)17-7-4-5-8-18(17)20(23-19,13-6-14-22-3)15-9-11-16(21)12-10-15/h4-5,7-12,22H,6,13-14H2,1-3H3
InChIKey
HXEFLJYQNKUXNR-UHFFFAOYSA-N
Compound name
3-[1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-yl]-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.15463 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.161906 178.7
[M+Na]+ 352.143848 188.0
[M-H]- 328.147354 186.9
[M+NH4]+ 347.188453 199.1
[M+K]+ 368.117788 182.2
[M+H-H2O]+ 312.151890 172.4
[M+HCOO]- 374.152831 195.9
[M+CH3COO]- 388.168481 190.6
[M+Na-2H]- 350.129296 183.5
[M]+ 329.15408142 183.3
[M]- 329.15517858 183.3
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.