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 184.9
[M+Na]+ 367.17809 189.2
[M-H]- 343.18159 190.4
[M+NH4]+ 362.22269 196.4
[M+K]+ 383.15203 181.6
[M+H-H2O]+ 327.18613 174.5
[M+HCOO]- 389.18707 199.4
[M+CH3COO]- 403.20272 193.0
[M+Na-2H]- 365.16354 184.3
[M]+ 344.18832 179.6
[M]- 344.18942 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.