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]+ 344.177576 183.3
[M+Na]+ 366.159518 192.2
[M-H]- 342.163024 192.8
[M+NH4]+ 361.204123 203.8
[M+K]+ 382.133458 187.6
[M+H-H2O]+ 326.167560 176.6
[M+HCOO]- 388.168501 200.7
[M+CH3COO]- 402.184151 217.1
[M+Na-2H]- 364.144966 186.7
[M]+ 343.16975142 189.4
[M]- 343.17084858 189.4
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.