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]+ 347.175396 183.7
[M+Na]+ 369.157338 189.3
[M-H]- 345.160844 189.9
[M+NH4]+ 364.201943 195.4
[M+K]+ 385.131278 182.6
[M+H-H2O]+ 329.165380 173.7
[M+HCOO]- 391.166321 198.8
[M+CH3COO]- 405.181971 192.5
[M+Na-2H]- 367.142786 183.1
[M]+ 346.16757142 179.9
[M]- 346.16866858 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.