CID 364680

Nsc631313

Structural Information

Molecular Formula
C20H18N2O3
SMILES
C1C(N(C2=CC=CC=C21)C(=O)CCC(=O)O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C20H18N2O3/c23-19(9-10-20(24)25)22-17-8-4-1-5-13(17)11-18(22)15-12-21-16-7-3-2-6-14(15)16/h1-8,12,18,21H,9-11H2,(H,24,25)
InChIKey
UNLYVABGLGMBAE-UHFFFAOYSA-N
Compound name
4-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.13174 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13902 178.8
[M+Na]+ 357.12096 186.5
[M-H]- 333.12446 182.9
[M+NH4]+ 352.16556 193.8
[M+K]+ 373.09490 180.3
[M+H-H2O]+ 317.12900 171.2
[M+HCOO]- 379.12994 195.5
[M+CH3COO]- 393.14559 188.7
[M+Na-2H]- 355.10641 178.7
[M]+ 334.13119 179.3
[M]- 334.13229 179.3
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.