CID 3088892

Sr 44385 a

Structural Information

Molecular Formula
C24H24F3NO2
SMILES
CN(C)CCC(COC(=O)C1=CC(=CC=C1)C(F)(F)F)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C24H24F3NO2/c1-28(2)14-13-19(22-12-6-8-17-7-3-4-11-21(17)22)16-30-23(29)18-9-5-10-20(15-18)24(25,26)27/h3-12,15,19H,13-14,16H2,1-2H3
InChIKey
QCYYKTJZDKWECY-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)-2-naphthalen-1-ylbutyl] 3-(trifluoromethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1759 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.18318 200.9
[M+Na]+ 438.16512 205.7
[M-H]- 414.16862 204.7
[M+NH4]+ 433.20972 211.9
[M+K]+ 454.13906 201.0
[M+H-H2O]+ 398.17316 188.7
[M+HCOO]- 460.17410 216.6
[M+CH3COO]- 474.18975 231.9
[M+Na-2H]- 436.15057 201.4
[M]+ 415.17535 200.2
[M]- 415.17645 200.2
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.