CID 9579189

1h-indole-7-carboximidamide, 4-fluoro-n'-hydroxy-3-[2-[(2r)-2-methyl-4-(2-pyridinylcarbonyl)-1-piperazinyl]-1,2-dioxoethyl]-

Structural Information

Molecular Formula
C22H21FN6O4
SMILES
C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CC(=C23)F)/C(=N/O)/N)C(=O)C4=CC=CC=N4
InChI
InChI=1S/C22H21FN6O4/c1-12-11-28(21(31)16-4-2-3-7-25-16)8-9-29(12)22(32)19(30)14-10-26-18-13(20(24)27-33)5-6-15(23)17(14)18/h2-7,10,12,26,33H,8-9,11H2,1H3,(H2,24,27)/t12-/m1/s1
InChIKey
ZCXLGNBDBJMMGA-GFCCVEGCSA-N
Compound name
4-fluoro-N'-hydroxy-3-[2-[(2R)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetyl]-1H-indole-7-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

452.16083 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.16811 203.9
[M+Na]+ 475.15005 208.9
[M-H]- 451.15355 207.0
[M+NH4]+ 470.19465 207.7
[M+K]+ 491.12399 203.3
[M+H-H2O]+ 435.15809 192.2
[M+HCOO]- 497.15903 215.5
[M+CH3COO]- 511.17468 235.0
[M+Na-2H]- 473.13550 201.0
[M]+ 452.16028 199.4
[M]- 452.16138 199.4
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.