CID 208657

32779-46-7

Structural Information

Molecular Formula
C21H24ClNO2
SMILES
CCN(CC)CCOC(C1=CC=C(C=C1)Cl)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C21H24ClNO2/c1-3-23(4-2)13-14-24-21(16-9-11-18(22)12-10-16)20-15-17-7-5-6-8-19(17)25-20/h5-12,15,21H,3-4,13-14H2,1-2H3
InChIKey
JQQRZLQNEFPTBZ-UHFFFAOYSA-N
Compound name
2-[1-benzofuran-2-yl-(4-chlorophenyl)methoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.14957 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15685 188.9
[M+Na]+ 380.13879 196.3
[M-H]- 356.14229 198.1
[M+NH4]+ 375.18339 204.3
[M+K]+ 396.11273 192.2
[M+H-H2O]+ 340.14683 181.0
[M+HCOO]- 402.14777 208.1
[M+CH3COO]- 416.16342 219.1
[M+Na-2H]- 378.12424 191.4
[M]+ 357.14902 197.7
[M]- 357.15012 197.7
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.