CID 6373963

Nsc632028

Structural Information

Molecular Formula
C18H20ClN5O5
SMILES
C1C/C(=N\NC(=O)C(=O)NN)/C(CC1=O)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H20ClN5O5/c19-10-1-3-11(4-2-10)21-16(27)8-7-15(26)13-9-12(25)5-6-14(13)23-24-18(29)17(28)22-20/h1-4,13H,5-9,20H2,(H,21,27)(H,22,28)(H,24,29)/b23-14+
InChIKey
NHMINUOBIIJFLW-OEAKJJBVSA-N
Compound name
N-(4-chlorophenyl)-4-[(2E)-2-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-5-oxocyclohexyl]-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.1153 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12258 196.0
[M+Na]+ 444.10452 197.8
[M-H]- 420.10802 202.5
[M+NH4]+ 439.14912 205.1
[M+K]+ 460.07846 195.2
[M+H-H2O]+ 404.11256 187.7
[M+HCOO]- 466.11350 214.5
[M+CH3COO]- 480.12915 237.2
[M+Na-2H]- 442.08997 194.1
[M]+ 421.11475 193.4
[M]- 421.11585 193.4
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.