CID 6445539

Iferanserin

Structural Information

Molecular Formula
C23H28N2O
SMILES
CN1CCCC[C@H]1CCC2=CC=CC=C2NC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C23H28N2O/c1-25-18-8-7-12-21(25)16-15-20-11-5-6-13-22(20)24-23(26)17-14-19-9-3-2-4-10-19/h2-6,9-11,13-14,17,21H,7-8,12,15-16,18H2,1H3,(H,24,26)/b17-14+/t21-/m0/s1
InChIKey
UXIPFQUBOVWAQW-UEBLJOKOSA-N
Compound name
(E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

169
Patents

348.22015 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22743 187.9
[M+Na]+ 371.20937 190.0
[M-H]- 347.21287 194.2
[M+NH4]+ 366.25397 198.3
[M+K]+ 387.18331 183.5
[M+H-H2O]+ 331.21741 177.0
[M+HCOO]- 393.21835 205.4
[M+CH3COO]- 407.23400 215.7
[M+Na-2H]- 369.19482 188.4
[M]+ 348.21960 182.7
[M]- 348.22070 182.7
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