CID 5924429

Nsc677213

Structural Information

Molecular Formula
C26H24N4O6
SMILES
C1CC(CC(C1)NC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N)NC(=O)/C(=C/C3=CC(=C(C=C3)O)O)/C#N
InChI
InChI=1S/C26H24N4O6/c27-13-17(8-15-4-6-21(31)23(33)10-15)25(35)29-19-2-1-3-20(12-19)30-26(36)18(14-28)9-16-5-7-22(32)24(34)11-16/h4-11,19-20,31-34H,1-3,12H2,(H,29,35)(H,30,36)/b17-8+,18-9+
InChIKey
SWJUFVBQHSTZOA-YPOGWSRFSA-N
Compound name
(E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.1696 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.17688 225.7
[M+Na]+ 511.15882 230.2
[M-H]- 487.16232 226.8
[M+NH4]+ 506.20342 227.1
[M+K]+ 527.13276 223.9
[M+H-H2O]+ 471.16686 209.0
[M+HCOO]- 533.16780 229.4
[M+CH3COO]- 547.18345 249.8
[M+Na-2H]- 509.14427 217.6
[M]+ 488.16905 211.7
[M]- 488.17015 211.7
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.