CID 6446542

Brn 0432409

Structural Information

Molecular Formula
C23H24N2O
SMILES
C/C(=C/C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)/N4CCCCC4
InChI
InChI=1S/C23H24N2O/c1-17(25-14-8-3-9-15-25)16-21(26)22-19-12-6-7-13-20(19)24-23(22)18-10-4-2-5-11-18/h2,4-7,10-13,16,24H,3,8-9,14-15H2,1H3/b17-16-
InChIKey
IVJFQKZESMVSBC-MSUUIHNZSA-N
Compound name
(Z)-1-(2-phenyl-1H-indol-3-yl)-3-piperidin-1-ylbut-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.18887 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19615 185.4
[M+Na]+ 367.17809 199.2
[M+NH4]+ 362.22269 193.2
[M+K]+ 383.15203 192.3
[M-H]- 343.18159 190.4
[M+Na-2H]- 365.16354 193.2
[M]+ 344.18832 188.7
[M]- 344.18942 188.7
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.