CID 295633

Nsc165205

Structural Information

Molecular Formula
C20H24N2O5
SMILES
COC(=O)C(CC1CC(=O)N(C1)CCC2=CNC3=CC=CC=C32)C(=O)OC
InChI
InChI=1S/C20H24N2O5/c1-26-19(24)16(20(25)27-2)9-13-10-18(23)22(12-13)8-7-14-11-21-17-6-4-3-5-15(14)17/h3-6,11,13,16,21H,7-10,12H2,1-2H3
InChIKey
UFFWMZXHHPVTTO-UHFFFAOYSA-N
Compound name
dimethyl 2-[[1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.16852 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.175796 188.8
[M+Na]+ 395.157738 194.2
[M-H]- 371.161244 192.6
[M+NH4]+ 390.202343 201.7
[M+K]+ 411.131678 191.0
[M+H-H2O]+ 355.165780 180.9
[M+HCOO]- 417.166721 205.4
[M+CH3COO]- 431.182371 213.6
[M+Na-2H]- 393.143186 184.8
[M]+ 372.16797142 192.2
[M]- 372.16906858 192.2
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.