CID 207094

Lu 6-041 hydrochloride

Structural Information

Molecular Formula
C21H21F6NO
SMILES
CN(C)CCCC1(C2=CC=CC=C2C(O1)(C(F)(F)F)C(F)(F)F)C3=CC=CC=C3
InChI
InChI=1S/C21H21F6NO/c1-28(2)14-8-13-18(15-9-4-3-5-10-15)16-11-6-7-12-17(16)19(29-18,20(22,23)24)21(25,26)27/h3-7,9-12H,8,13-14H2,1-2H3
InChIKey
IDLPWSLIHVDGKQ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[1-phenyl-3,3-bis(trifluoromethyl)-2-benzofuran-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.15274 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16002 195.5
[M+Na]+ 440.14196 204.2
[M-H]- 416.14546 197.3
[M+NH4]+ 435.18656 211.6
[M+K]+ 456.11590 200.0
[M+H-H2O]+ 400.15000 183.9
[M+HCOO]- 462.15094 207.8
[M+CH3COO]- 476.16659 228.1
[M+Na-2H]- 438.12741 198.8
[M]+ 417.15219 191.1
[M]- 417.15329 191.1
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.