CID 99907577

881403-08-3

Structural Information

Molecular Formula
C25H28N4O3
SMILES
C/C(=C\C1=CC=CC=C1)/C=N/NC(=O)C(=O)NC2=CC=CC=C2C(=O)NC3CCCCC3
InChI
InChI=1S/C25H28N4O3/c1-18(16-19-10-4-2-5-11-19)17-26-29-25(32)24(31)28-22-15-9-8-14-21(22)23(30)27-20-12-6-3-7-13-20/h2,4-5,8-11,14-17,20H,3,6-7,12-13H2,1H3,(H,27,30)(H,28,31)(H,29,32)/b18-16+,26-17+
InChIKey
HPOSRDOVWQZSSY-FWRKXGDYSA-N
Compound name
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.21616 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.22344 204.2
[M+Na]+ 455.20538 202.3
[M-H]- 431.20888 212.6
[M+NH4]+ 450.24998 211.4
[M+K]+ 471.17932 198.5
[M+H-H2O]+ 415.21342 193.0
[M+HCOO]- 477.21436 224.9
[M+CH3COO]- 491.23001 238.1
[M+Na-2H]- 453.19083 203.5
[M]+ 432.21561 197.5
[M]- 432.21671 197.5
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.