CID 5279826

(2e)-2-[1-[2-(4,7-dimethoxy-1h-pyrrolo[2,3-c]pyridin-3-yl)-2-oxo-acetyl]-2-methyl-4-piperidylidene]-2-phenyl-acetonitrile

Structural Information

Molecular Formula
C25H24N4O4
SMILES
CC1C/C(=C(/C#N)\C2=CC=CC=C2)/CCN1C(=O)C(=O)C3=CNC4=C3C(=CN=C4OC)OC
InChI
InChI=1S/C25H24N4O4/c1-15-11-17(18(12-26)16-7-5-4-6-8-16)9-10-29(15)25(31)23(30)19-13-27-22-21(19)20(32-2)14-28-24(22)33-3/h4-8,13-15,27H,9-11H2,1-3H3/b18-17-
InChIKey
OTPMOHYDCLSBAC-ZCXUNETKSA-N
Compound name
(2E)-2-[1-[2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]-2-methylpiperidin-4-ylidene]-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.17975 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.18703 209.0
[M+Na]+ 467.16897 216.3
[M-H]- 443.17247 211.3
[M+NH4]+ 462.21357 213.8
[M+K]+ 483.14291 207.8
[M+H-H2O]+ 427.17701 191.2
[M+HCOO]- 489.17795 217.7
[M+CH3COO]- 503.19360 236.5
[M+Na-2H]- 465.15442 204.3
[M]+ 444.17920 202.9
[M]- 444.18030 202.9
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.