CID 5328760

Ag-538

Structural Information

Molecular Formula
C16H11NO5
SMILES
C1=CC(=C(C=C1/C=C(\C#N)/C(=O)C2=CC(=C(C=C2)O)O)O)O
InChI
InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
InChIKey
CANOJKGQDCJDOX-VZUCSPMQSA-N
Compound name
(E)-2-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

101
Patents

297.06372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07100 173.7
[M+Na]+ 320.05294 182.9
[M-H]- 296.05644 175.0
[M+NH4]+ 315.09754 184.6
[M+K]+ 336.02688 177.3
[M+H-H2O]+ 280.06098 160.8
[M+HCOO]- 342.06192 187.4
[M+CH3COO]- 356.07757 205.6
[M+Na-2H]- 318.03839 172.8
[M]+ 297.06317 166.8
[M]- 297.06427 166.8
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