CID 5922954

Nsc632022

Structural Information

Molecular Formula
C23H26FN5O4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCC/C(=N\NC(=O)C(=O)NN)/CC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C23H26FN5O4/c1-14-5-3-6-15(2)21(14)26-20(31)8-4-7-18(28-29-23(33)22(32)27-25)13-19(30)16-9-11-17(24)12-10-16/h3,5-6,9-12H,4,7-8,13,25H2,1-2H3,(H,26,31)(H,27,32)(H,29,33)/b28-18+
InChIKey
YDUAWSZWERROOO-MTDXEUNCSA-N
Compound name
(5E)-N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.19687 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.20415 210.9
[M+Na]+ 478.18609 212.1
[M-H]- 454.18959 216.3
[M+NH4]+ 473.23069 217.7
[M+K]+ 494.16003 209.9
[M+H-H2O]+ 438.19413 199.4
[M+HCOO]- 500.19507 233.7
[M+CH3COO]- 514.21072 248.9
[M+Na-2H]- 476.17154 207.5
[M]+ 455.19632 209.1
[M]- 455.19742 209.1
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.