CID 114386

10565-61-4

Structural Information

Molecular Formula
C21H26ClNO
SMILES
CC1(C2=C(C=C(C=C2)Cl)C(O1)(CCCN(C)C)C3=CC=CC=C3)C
InChI
InChI=1S/C21H26ClNO/c1-20(2)18-12-11-17(22)15-19(18)21(24-20,13-8-14-23(3)4)16-9-6-5-7-10-16/h5-7,9-12,15H,8,13-14H2,1-4H3
InChIKey
QVMPFYGWNGXJRW-UHFFFAOYSA-N
Compound name
3-(6-chloro-3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1703 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17758 181.0
[M+Na]+ 366.15952 195.6
[M+NH4]+ 361.20412 193.7
[M+K]+ 382.13346 184.3
[M-H]- 342.16302 188.4
[M+Na-2H]- 364.14497 191.0
[M]+ 343.16975 186.1
[M]- 343.17085 186.1
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.