CID 5388680

(e)-2-cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide

Structural Information

Molecular Formula
C10H8N2O4
SMILES
C1=C(C=C(C(=C1O)O)O)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C10H8N2O4/c11-4-6(10(12)16)1-5-2-7(13)9(15)8(14)3-5/h1-3,13-15H,(H2,12,16)/b6-1+
InChIKey
IZDSLPGXLRWXIF-LZCJLJQNSA-N
Compound name
(E)-2-cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

220.0484 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05568 152.4
[M+Na]+ 243.03762 161.5
[M-H]- 219.04112 152.2
[M+NH4]+ 238.08222 166.6
[M+K]+ 259.01156 158.3
[M+H-H2O]+ 203.04566 140.6
[M+HCOO]- 265.04660 168.4
[M+CH3COO]- 279.06225 196.2
[M+Na-2H]- 241.02307 152.6
[M]+ 220.04785 144.4
[M]- 220.04895 144.4
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.