CID 9579187

3-[(4-benzoylpiperazin-1-yl)(oxo)acetyl]-4-fluoro-n'-hydroxy-1h-indole-7-carboximidamide-

Structural Information

Molecular Formula
C22H20FN5O4
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)/C(=N/O)/N
InChI
InChI=1S/C22H20FN5O4/c23-16-7-6-14(20(24)26-32)18-17(16)15(12-25-18)19(29)22(31)28-10-8-27(9-11-28)21(30)13-4-2-1-3-5-13/h1-7,12,25,32H,8-11H2,(H2,24,26)
InChIKey
IRGYBMOWZKHTBW-UHFFFAOYSA-N
Compound name
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

437.14993 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.15721 199.1
[M+Na]+ 460.13915 203.1
[M-H]- 436.14265 202.9
[M+NH4]+ 455.18375 204.5
[M+K]+ 476.11309 197.8
[M+H-H2O]+ 420.14719 187.7
[M+HCOO]- 482.14813 212.0
[M+CH3COO]- 496.16378 230.8
[M+Na-2H]- 458.12460 196.7
[M]+ 437.14938 193.5
[M]- 437.15048 193.5
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.