CID 52936

Brn 5090665

Structural Information

Molecular Formula
C18H18ClNO2
SMILES
CC1=C(C2=C(O1)C=CC(=C2CN(C)C)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H18ClNO2/c1-11-17(12-4-6-13(19)7-5-12)18-14(10-20(2)3)15(21)8-9-16(18)22-11/h4-9,21H,10H2,1-3H3
InChIKey
NEPQCQASFWVLNY-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-4-[(dimethylamino)methyl]-2-methyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1026 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10988 172.1
[M+Na]+ 338.09182 188.7
[M+NH4]+ 333.13642 181.6
[M+K]+ 354.06576 182.0
[M-H]- 314.09532 179.3
[M+Na-2H]- 336.07727 180.0
[M]+ 315.10205 177.1
[M]- 315.10315 177.1
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.