CID 3054778

71765-55-4

Structural Information

Molecular Formula
C22H22N2O2
SMILES
CC1CCCCN1C(=O)C(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C22H22N2O2/c1-15-9-7-8-14-24(15)22(26)21(25)19-17-12-5-6-13-18(17)23-20(19)16-10-3-2-4-11-16/h2-6,10-13,15,23H,7-9,14H2,1H3
InChIKey
ZLXYLUQRNBWOLB-UHFFFAOYSA-N
Compound name
1-(2-methylpiperidin-1-yl)-2-(2-phenyl-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.16812 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17540 183.7
[M+Na]+ 369.15734 189.3
[M-H]- 345.16084 189.9
[M+NH4]+ 364.20194 195.4
[M+K]+ 385.13128 182.6
[M+H-H2O]+ 329.16538 173.7
[M+HCOO]- 391.16632 198.8
[M+CH3COO]- 405.18197 192.5
[M+Na-2H]- 367.14279 183.1
[M]+ 346.16757 179.9
[M]- 346.16867 179.9
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.