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

1140
Patents

340.16095 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.168226 183.1
[M+Na]+ 363.150168 187.0
[M-H]- 339.153674 190.0
[M+NH4]+ 358.194773 196.8
[M+K]+ 379.124108 181.7
[M+H-H2O]+ 323.158210 173.9
[M+HCOO]- 385.159151 202.3
[M+CH3COO]- 399.174801 217.8
[M+Na-2H]- 361.135616 183.6
[M]+ 340.16040142 185.8
[M]- 340.16149858 185.8
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