CID 9579186

3-[[(2r)-4-benzoyl-2-methylpiperazin-1-yl](oxo)acetyl]-4-fluoro-n'-hydroxy-1h-indole-7-carboximidamide-

Structural Information

Molecular Formula
C23H22FN5O4
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=C4
InChI
InChI=1S/C23H22FN5O4/c1-13-12-28(22(31)14-5-3-2-4-6-14)9-10-29(13)23(32)20(30)16-11-26-19-15(21(25)27-33)7-8-17(24)18(16)19/h2-8,11,13,26,33H,9-10,12H2,1H3,(H2,25,27)/t13-/m1/s1
InChIKey
YOZKBOFALQSDEN-CYBMUJFWSA-N
Compound name
3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

451.1656 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.17288 204.5
[M+Na]+ 474.15482 209.0
[M-H]- 450.15832 208.6
[M+NH4]+ 469.19942 209.7
[M+K]+ 490.12876 203.6
[M+H-H2O]+ 434.16286 193.3
[M+HCOO]- 496.16380 217.1
[M+CH3COO]- 510.17945 235.1
[M+Na-2H]- 472.14027 200.9
[M]+ 451.16505 199.7
[M]- 451.16615 199.7
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.