CID 5873290

Nsc625914

Structural Information

Molecular Formula
C22H24FN5O4
SMILES
CC1=C(C=C(C=C1)NC(=O)CC/C(=N\NC(=O)C(=O)NN)/CC(=O)C2=CC=C(C=C2)F)C
InChI
InChI=1S/C22H24FN5O4/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
PXURFKCXRZBPBS-OVVQPSECSA-N
Compound name
(4E)-N-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-6-oxohexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.18124 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.18852 206.6
[M+Na]+ 464.17046 208.2
[M-H]- 440.17396 212.2
[M+NH4]+ 459.21506 214.0
[M+K]+ 480.14440 206.2
[M+H-H2O]+ 424.17850 195.2
[M+HCOO]- 486.17944 229.7
[M+CH3COO]- 500.19509 246.0
[M+Na-2H]- 462.15591 203.6
[M]+ 441.18069 204.5
[M]- 441.18179 204.5
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.