CID 6435292

Brn 1895698

Structural Information

Molecular Formula
C20H17N3O4
SMILES
COC(=O)C(/C=C/C=C/C=N/C(=C(\C#N)/C(=O)OC)/C1=CC=CC=C1)C#N
InChI
InChI=1S/C20H17N3O4/c1-26-19(24)16(13-21)11-7-4-8-12-23-18(15-9-5-3-6-10-15)17(14-22)20(25)27-2/h3-12,16H,1-2H3/b8-4+,11-7+,18-17+,23-12?
InChIKey
UBKZULKHYJIMEX-CQSJGUHHSA-N
Compound name
methyl (3E,5E)-2-cyano-7-[(E)-2-cyano-3-methoxy-3-oxo-1-phenylprop-1-enyl]iminohepta-3,5-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.12192 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12920 202.3
[M+Na]+ 386.11114 207.7
[M+NH4]+ 381.15574 199.8
[M+K]+ 402.08508 198.0
[M-H]- 362.11464 190.5
[M+Na-2H]- 384.09659 198.3
[M]+ 363.12137 198.1
[M]- 363.12247 198.1
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.