CID 9861871

Ls-104

Structural Information

Molecular Formula
C19H16N2O3
SMILES
C1=CC=C(C=C1)CNC(=O)/C(=C/C=C/C2=CC(=C(C=C2)O)O)/C#N
InChI
InChI=1S/C19H16N2O3/c20-12-16(19(24)21-13-15-5-2-1-3-6-15)8-4-7-14-9-10-17(22)18(23)11-14/h1-11,22-23H,13H2,(H,21,24)/b7-4+,16-8+
InChIKey
DTCCYSMPUUYHOF-LHQXNBGVSA-N
Compound name
(2E,4E)-N-benzyl-2-cyano-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

262
Patents

320.1161 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.123376 184.4
[M+Na]+ 343.105318 191.6
[M-H]- 319.108824 186.8
[M+NH4]+ 338.149923 195.1
[M+K]+ 359.079258 184.5
[M+H-H2O]+ 303.113360 170.1
[M+HCOO]- 365.114301 200.6
[M+CH3COO]- 379.129951 214.1
[M+Na-2H]- 341.090766 184.3
[M]+ 320.11555142 176.9
[M]- 320.11664858 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe