CID 52938

6-benzofuranol, 3-(p-chlorophenyl)-7-dimethylaminomethyl-2-methyl-, hydrochloride

Structural Information

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

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Patent stripe

No patent data available for this compound.