CID 15958752

1h-pyrrolo[2,3-c]pyridine-7-carboxamide, 3-[2-[(3r)-4-benzoyl-3-methyl-1-piperazinyl]-1,2-dioxoethyl]-4-methoxy-n-methyl-

Structural Information

Molecular Formula
C24H25N5O5
SMILES
C[C@@H]1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C(=CN=C4C(=O)NC)OC
InChI
InChI=1S/C24H25N5O5/c1-14-13-28(9-10-29(14)23(32)15-7-5-4-6-8-15)24(33)21(30)16-11-26-19-18(16)17(34-3)12-27-20(19)22(31)25-2/h4-8,11-12,14,26H,9-10,13H2,1-3H3,(H,25,31)/t14-/m1/s1
InChIKey
FHXYCOAQGSNEBV-CQSZACIVSA-N
Compound name
3-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-N-methyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.18558 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.19286 208.7
[M+Na]+ 486.17480 213.2
[M-H]- 462.17830 213.2
[M+NH4]+ 481.21940 212.4
[M+K]+ 502.14874 208.6
[M+H-H2O]+ 446.18284 197.5
[M+HCOO]- 508.18378 220.2
[M+CH3COO]- 522.19943 235.4
[M+Na-2H]- 484.16025 205.5
[M]+ 463.18503 208.4
[M]- 463.18613 208.4
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.