CID 9579169

2-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4,7-difluoro-indol-1-yl]-n'-hydroxy-acetamidine

Structural Information

Molecular Formula
C23H21F2N5O4
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=C(C=CC(=C34)F)F)C/C(=N/O)/N
InChI
InChI=1S/C23H21F2N5O4/c24-16-6-7-17(25)20-19(16)15(12-30(20)13-18(26)27-34)21(31)23(33)29-10-8-28(9-11-29)22(32)14-4-2-1-3-5-14/h1-7,12,34H,8-11,13H2,(H2,26,27)
InChIKey
NZSVNQZCCDSSFW-UHFFFAOYSA-N
Compound name
2-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4,7-difluoroindol-1-yl]-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.15616 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.16344 207.5
[M+Na]+ 492.14538 212.5
[M-H]- 468.14888 211.4
[M+NH4]+ 487.18998 212.5
[M+K]+ 508.11932 207.1
[M+H-H2O]+ 452.15342 194.8
[M+HCOO]- 514.15436 220.4
[M+CH3COO]- 528.17001 239.6
[M+Na-2H]- 490.13083 203.6
[M]+ 469.15561 203.4
[M]- 469.15671 203.4
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.