CID 5910163

Nsc622434

Structural Information

Molecular Formula
C22H25N5O4
SMILES
C1=CC=C(C=C1)CCNC(=O)CC/C(=N\NC(=O)C(=O)NN)/CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H25N5O4/c23-25-21(30)22(31)27-26-18(15-19(28)17-9-5-2-6-10-17)11-12-20(29)24-14-13-16-7-3-1-4-8-16/h1-10H,11-15,23H2,(H,24,29)(H,25,30)(H,27,31)/b26-18+
InChIKey
MRAMTHOFIWHURT-NLRVBDNBSA-N
Compound name
(4E)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-6-oxo-6-phenyl-N-(2-phenylethyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.19064 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.19792 201.3
[M+Na]+ 446.17986 200.1
[M-H]- 422.18336 207.1
[M+NH4]+ 441.22446 208.5
[M+K]+ 462.15380 198.3
[M+H-H2O]+ 406.18790 190.2
[M+HCOO]- 468.18884 225.5
[M+CH3COO]- 482.20449 239.4
[M+Na-2H]- 444.16531 201.3
[M]+ 423.19009 198.9
[M]- 423.19119 198.9
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.