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]+ 373.17580 188.8
[M+Na]+ 395.15774 194.2
[M-H]- 371.16124 192.6
[M+NH4]+ 390.20234 201.7
[M+K]+ 411.13168 191.0
[M+H-H2O]+ 355.16578 180.9
[M+HCOO]- 417.16672 205.4
[M+CH3COO]- 431.18237 213.6
[M+Na-2H]- 393.14319 184.8
[M]+ 372.16797 192.2
[M]- 372.16907 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.