CID 10132164

103146-25-4

Structural Information

Molecular Formula
C20H23FN2O2
SMILES
CN(C)CCCC(C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O
InChI
InChI=1S/C20H23FN2O2/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24/h4-9,12,24-25H,3,10-11,14H2,1-2H3
InChIKey
GNULRNVWXYXBQY-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

236
Patents

342.17435 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18163 184.2
[M+Na]+ 365.16357 194.8
[M+NH4]+ 360.20817 186.8
[M+K]+ 381.13751 185.0
[M-H]- 341.16707 178.5
[M+Na-2H]- 363.14902 187.2
[M]+ 342.17380 183.2
[M]- 342.17490 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe