CID 9654822

4-((e)-{[{2-[(cyclohexylamino)carbonyl]anilino}(oxo)acetyl]hydrazono}methyl)-2-methoxyphenyl (2e)-3-phenyl-2-propenoate

Structural Information

Molecular Formula
C32H32N4O6
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=CC=C2C(=O)NC3CCCCC3)OC(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C32H32N4O6/c1-41-28-20-23(16-18-27(28)42-29(37)19-17-22-10-4-2-5-11-22)21-33-36-32(40)31(39)35-26-15-9-8-14-25(26)30(38)34-24-12-6-3-7-13-24/h2,4-5,8-11,14-21,24H,3,6-7,12-13H2,1H3,(H,34,38)(H,35,39)(H,36,40)/b19-17+,33-21+
InChIKey
PRVHDZWPBKXUJP-TWTRLFOUSA-N
Compound name
[4-[(E)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.2322 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.23948 233.7
[M+Na]+ 591.22142 230.7
[M-H]- 567.22492 244.7
[M+NH4]+ 586.26602 234.5
[M+K]+ 607.19536 228.0
[M+H-H2O]+ 551.22946 220.2
[M+HCOO]- 613.23040 253.4
[M+CH3COO]- 627.24605 262.7
[M+Na-2H]- 589.20687 231.7
[M]+ 568.23165 230.6
[M]- 568.23275 230.6
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.