CID 6913042

Lu 3-011

Structural Information

Molecular Formula
C22H24F3N
SMILES
CC1(C2=C(C=C(C=C2)C(F)(F)F)/C(=C\CCN(C)C)/C3=CC=CC=C31)C
InChI
InChI=1S/C22H24F3N/c1-21(2)19-10-6-5-8-17(19)16(9-7-13-26(3)4)18-14-15(22(23,24)25)11-12-20(18)21/h5-6,8-12,14H,7,13H2,1-4H3/b16-9-
InChIKey
NYKCPMKIBMYNFI-SXGWCWSVSA-N
Compound name
(3Z)-3-[10,10-dimethyl-2-(trifluoromethyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1861 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19338 187.4
[M+Na]+ 382.17532 196.0
[M-H]- 358.17882 189.9
[M+NH4]+ 377.21992 205.2
[M+K]+ 398.14926 189.7
[M+H-H2O]+ 342.18336 177.2
[M+HCOO]- 404.18430 202.4
[M+CH3COO]- 418.19995 224.4
[M+Na-2H]- 380.16077 190.4
[M]+ 359.18555 185.3
[M]- 359.18665 185.3
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.