CID 507900

Schembl6445737

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(=O)NN
InChI
InChI=1S/C22H20FN5O4/c23-16-7-6-14(20(30)26-24)18-17(16)15(12-25-18)19(29)22(32)28-10-8-27(9-11-28)21(31)13-4-2-1-3-5-13/h1-7,12,25H,8-11,24H2,(H,26,30)
InChIKey
PHVKPVBPTPACDL-UHFFFAOYSA-N
Compound name
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indole-7-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
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 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

literature stripe

Patent stripe

patents stripe