CID 507955

4-fluoro-3-[2-[(2r)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]-2-oxo-acetyl]-1h-indole-7-carboxamide

Structural Information

Molecular Formula
C22H20FN5O4
SMILES
C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CC(=C23)F)C(=O)N)C(=O)C4=CC=CC=N4
InChI
InChI=1S/C22H20FN5O4/c1-12-11-27(21(31)16-4-2-3-7-25-16)8-9-28(12)22(32)19(29)14-10-26-18-13(20(24)30)5-6-15(23)17(14)18/h2-7,10,12,26H,8-9,11H2,1H3,(H2,24,30)/t12-/m1/s1
InChIKey
LATUJLYEWRMIIU-GFCCVEGCSA-N
Compound name
4-fluoro-3-[2-[(2R)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetyl]-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

437.14993 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.15721 201.4
[M+Na]+ 460.13915 207.2
[M-H]- 436.14265 204.4
[M+NH4]+ 455.18375 206.0
[M+K]+ 476.11309 201.3
[M+H-H2O]+ 420.14719 189.8
[M+HCOO]- 482.14813 211.9
[M+CH3COO]- 496.16378 230.2
[M+Na-2H]- 458.12460 197.4
[M]+ 437.14938 197.4
[M]- 437.15048 197.4
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.