CID 6374157

Nsc632010

Structural Information

Molecular Formula
C21H21ClFN5O4
SMILES
C1=CC(=CC=C1C(=O)C/C(=N/NC(=O)C(=O)NN)/CCCC(=O)NC2=CC=C(C=C2)Cl)F
InChI
InChI=1S/C21H21ClFN5O4/c22-14-6-10-16(11-7-14)25-19(30)3-1-2-17(27-28-21(32)20(31)26-24)12-18(29)13-4-8-15(23)9-5-13/h4-11H,1-3,12,24H2,(H,25,30)(H,26,31)(H,28,32)/b27-17+
InChIKey
ADMVLUJOUHQWBV-WPWMEQJKSA-N
Compound name
(5E)-N-(4-chlorophenyl)-7-(4-fluorophenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.12662 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.13390 208.4
[M+Na]+ 484.11584 210.5
[M-H]- 460.11934 213.8
[M+NH4]+ 479.16044 215.7
[M+K]+ 500.08978 206.8
[M+H-H2O]+ 444.12388 198.2
[M+HCOO]- 506.12482 227.8
[M+CH3COO]- 520.14047 245.0
[M+Na-2H]- 482.10129 206.4
[M]+ 461.12607 208.3
[M]- 461.12717 208.3
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.