CID 5467631

Nsc657025

Structural Information

Molecular Formula
C18H15N3O3
SMILES
COC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=CNC4=C3C=CC=N4
InChI
InChI=1S/C18H15N3O3/c1-24-12-6-4-11(5-7-12)21-16(22)9-14(18(21)23)15-10-20-17-13(15)3-2-8-19-17/h2-8,10,14H,9H2,1H3,(H,19,20)
InChIKey
PRPHTOKMAKPHAP-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.11133 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11861 173.5
[M+Na]+ 344.10055 183.9
[M-H]- 320.10405 180.6
[M+NH4]+ 339.14515 187.6
[M+K]+ 360.07449 177.9
[M+H-H2O]+ 304.10859 164.4
[M+HCOO]- 366.10953 193.2
[M+CH3COO]- 380.12518 184.9
[M+Na-2H]- 342.08600 173.8
[M]+ 321.11078 174.9
[M]- 321.11188 174.9
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.