CID 15958928

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

Structural Information

Molecular Formula
C23H23N5O5
SMILES
C[C@@H]1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C(=CN=C4C(=O)N)OC
InChI
InChI=1S/C23H23N5O5/c1-13-12-27(8-9-28(13)22(31)14-6-4-3-5-7-14)23(32)20(29)15-10-25-18-17(15)16(33-2)11-26-19(18)21(24)30/h3-7,10-11,13,25H,8-9,12H2,1-2H3,(H2,24,30)/t13-/m1/s1
InChIKey
LZEHZSDZYVYAAI-CYBMUJFWSA-N
Compound name
3-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.16992 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.17720 204.7
[M+Na]+ 472.15914 209.6
[M-H]- 448.16264 208.9
[M+NH4]+ 467.20374 208.7
[M+K]+ 488.13308 205.0
[M+H-H2O]+ 432.16718 193.8
[M+HCOO]- 494.16812 216.0
[M+CH3COO]- 508.18377 232.8
[M+Na-2H]- 470.14459 201.1
[M]+ 449.16937 203.3
[M]- 449.17047 203.3
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.