CID 6446542

2-buten-1-one, 1-(2-phenyl-1h-indol-3-yl)-3-(1-piperidinyl)-

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]+ 345.196146 184.9
[M+Na]+ 367.178088 189.2
[M-H]- 343.181594 190.4
[M+NH4]+ 362.222693 196.4
[M+K]+ 383.152028 181.6
[M+H-H2O]+ 327.186130 174.5
[M+HCOO]- 389.187071 199.4
[M+CH3COO]- 403.202721 193.0
[M+Na-2H]- 365.163536 184.3
[M]+ 344.18832142 179.6
[M]- 344.18941858 179.6
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.