CID 5279822

Schembl12751566

Structural Information

Molecular Formula
C23H23N3O4
SMILES
COC1=CN=C(C2=C1C(=CN2)C(=O)C(=O)N3CCC(=CC4=CC=CC=C4)CC3)OC
InChI
InChI=1S/C23H23N3O4/c1-29-18-14-25-22(30-2)20-19(18)17(13-24-20)21(27)23(28)26-10-8-16(9-11-26)12-15-6-4-3-5-7-15/h3-7,12-14,24H,8-11H2,1-2H3
InChIKey
NTGXOVAQJQSTBV-UHFFFAOYSA-N
Compound name
1-(4-benzylidenepiperidin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

405.16885 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.17613 197.4
[M+Na]+ 428.15807 203.1
[M-H]- 404.16157 202.5
[M+NH4]+ 423.20267 205.2
[M+K]+ 444.13201 197.1
[M+H-H2O]+ 388.16611 186.3
[M+HCOO]- 450.16705 211.2
[M+CH3COO]- 464.18270 205.0
[M+Na-2H]- 426.14352 195.9
[M]+ 405.16830 196.8
[M]- 405.16940 196.8
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

patents stripe