CID 5279823

Schembl12751569

Structural Information

Molecular Formula
C23H22N2O2
SMILES
CC\1CN(CC/C1=C\C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C23H22N2O2/c1-16-15-25(12-11-18(16)13-17-7-3-2-4-8-17)23(27)22(26)20-14-24-21-10-6-5-9-19(20)21/h2-10,13-14,16,24H,11-12,15H2,1H3/b18-13+
InChIKey
BJVNMUILZIBEEX-QGOAFFKASA-N
Compound name
1-[(4E)-4-benzylidene-3-methylpiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

358.16812 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17540 187.6
[M+Na]+ 381.15734 193.1
[M-H]- 357.16084 193.7
[M+NH4]+ 376.20194 198.8
[M+K]+ 397.13128 185.7
[M+H-H2O]+ 341.16538 177.5
[M+HCOO]- 403.16632 202.6
[M+CH3COO]- 417.18197 196.0
[M+Na-2H]- 379.14279 186.4
[M]+ 358.16757 183.4
[M]- 358.16867 183.4
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

patents stripe