CID 114384

Lu 3-001

Structural Information

Molecular Formula
C22H26F3NO
SMILES
CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C3=CC=C(C=C3)C(F)(F)F)C
InChI
InChI=1S/C22H26F3NO/c1-20(2)18-8-5-6-9-19(18)21(27-20,14-7-15-26(3)4)16-10-12-17(13-11-16)22(23,24)25/h5-6,8-13H,7,14-15H2,1-4H3
InChIKey
MQERWKHHUUEGSM-UHFFFAOYSA-N
Compound name
3-[3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.19666 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20394 189.9
[M+Na]+ 400.18588 198.4
[M-H]- 376.18938 195.7
[M+NH4]+ 395.23048 208.1
[M+K]+ 416.15982 194.7
[M+H-H2O]+ 360.19392 180.5
[M+HCOO]- 422.19486 206.7
[M+CH3COO]- 436.21051 224.3
[M+Na-2H]- 398.17133 192.8
[M]+ 377.19611 190.4
[M]- 377.19721 190.4
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.