CID 5475158

Cinanserin

Structural Information

Molecular Formula
C20H24N2OS
SMILES
CN(C)CCCSC1=CC=CC=C1NC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+
InChIKey
RSUVYMGADVXGOU-BUHFOSPRSA-N
Compound name
(E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

253
References

921
Patents

340.16095 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16823 182.7
[M+Na]+ 363.15017 194.1
[M+NH4]+ 358.19477 190.6
[M+K]+ 379.12411 183.6
[M-H]- 339.15367 188.3
[M+Na-2H]- 361.13562 190.7
[M]+ 340.16040 186.3
[M]- 340.16150 186.3
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