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]+ 330.16191 178.7
[M+Na]+ 352.14385 188.0
[M-H]- 328.14735 186.9
[M+NH4]+ 347.18845 199.1
[M+K]+ 368.11779 182.2
[M+H-H2O]+ 312.15189 172.4
[M+HCOO]- 374.15283 195.9
[M+CH3COO]- 388.16848 190.6
[M+Na-2H]- 350.12930 183.5
[M]+ 329.15408 183.3
[M]- 329.15518 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.