CID 6299355

Nsc632013

Structural Information

Molecular Formula
C17H20ClN5O4
SMILES
C1CC(/C(=N/NC(=O)C(=O)NN)/C1)C(=O)CCC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C17H20ClN5O4/c18-10-3-1-4-11(9-10)20-15(25)8-7-14(24)12-5-2-6-13(12)22-23-17(27)16(26)21-19/h1,3-4,9,12H,2,5-8,19H2,(H,20,25)(H,21,26)(H,23,27)/b22-13+
InChIKey
JUZLGRHTZGULEH-LPYMAVHISA-N
Compound name
N-(3-chlorophenyl)-4-[(2E)-2-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]cyclopentyl]-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.1204 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.12768 192.3
[M+Na]+ 416.10962 194.0
[M-H]- 392.11312 199.1
[M+NH4]+ 411.15422 204.2
[M+K]+ 432.08356 191.1
[M+H-H2O]+ 376.11766 184.0
[M+HCOO]- 438.11860 212.7
[M+CH3COO]- 452.13425 230.3
[M+Na-2H]- 414.09507 190.0
[M]+ 393.11985 190.0
[M]- 393.12095 190.0
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.