CID 6078641

Nsc625919

Structural Information

Molecular Formula
C22H24ClN5O4
SMILES
CC1=C(C=C(C=C1)NC(=O)CC/C(=N\NC(=O)C(=O)NN)/CC(=O)C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C22H24ClN5O4/c1-13-3-8-17(11-14(13)2)25-20(30)10-9-18(27-28-22(32)21(31)26-24)12-19(29)15-4-6-16(23)7-5-15/h3-8,11H,9-10,12,24H2,1-2H3,(H,25,30)(H,26,31)(H,28,32)/b27-18+
InChIKey
ITARXXRBORLFOG-OVVQPSECSA-N
Compound name
(4E)-6-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-6-oxohexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.15167 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.15895 211.8
[M+Na]+ 480.14089 214.3
[M-H]- 456.14439 218.8
[M+NH4]+ 475.18549 219.7
[M+K]+ 496.11483 211.0
[M+H-H2O]+ 440.14893 202.7
[M+HCOO]- 502.14987 231.8
[M+CH3COO]- 516.16552 246.7
[M+Na-2H]- 478.12634 209.0
[M]+ 457.15112 213.5
[M]- 457.15222 213.5
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.