CID 2817037

Mls000859767

Structural Information

Molecular Formula
C20H20N4O3
SMILES
C1CN(C2=CC=CC=C21)CC(=O)NN3CC(=O)N(CC3=O)C4=CC=CC=C4
InChI
InChI=1S/C20H20N4O3/c25-18(12-22-11-10-15-6-4-5-9-17(15)22)21-24-14-19(26)23(13-20(24)27)16-7-2-1-3-8-16/h1-9H,10-14H2,(H,21,25)
InChIKey
IFFBUMNWUKUHJB-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

364.15353 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.160806 186.0
[M+Na]+ 387.142748 191.2
[M-H]- 363.146254 191.9
[M+NH4]+ 382.187353 195.8
[M+K]+ 403.116688 185.5
[M+H-H2O]+ 347.150790 174.6
[M+HCOO]- 409.151731 201.4
[M+CH3COO]- 423.167381 194.2
[M+Na-2H]- 385.128196 186.1
[M]+ 364.15298142 182.1
[M]- 364.15407858 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.