CID 5864065

Nsc622394

Structural Information

Molecular Formula
C23H27N5O5
SMILES
CC1=CC(=C(C=C1)C)NC(=O)CC/C(=N\NC(=O)C(=O)NN)/C(C)C(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C23H27N5O5/c1-13-4-5-14(2)19(12-13)25-20(30)11-10-18(27-28-23(33)22(32)26-24)15(3)21(31)16-6-8-17(29)9-7-16/h4-9,12,15,29H,10-11,24H2,1-3H3,(H,25,30)(H,26,32)(H,28,33)/b27-18+
InChIKey
CMVWJAMYCPIRQE-OVVQPSECSA-N
Compound name
(4E)-N-(2,5-dimethylphenyl)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-6-(4-hydroxyphenyl)-5-methyl-6-oxohexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.20123 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.20851 210.6
[M+Na]+ 476.19045 210.8
[M-H]- 452.19395 216.1
[M+NH4]+ 471.23505 216.7
[M+K]+ 492.16439 210.0
[M+H-H2O]+ 436.19849 200.3
[M+HCOO]- 498.19943 232.1
[M+CH3COO]- 512.21508 247.7
[M+Na-2H]- 474.17590 206.4
[M]+ 453.20068 208.8
[M]- 453.20178 208.8
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.