CID 5328768

Tyrphostin a46

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1=CC(=C(C=C1/C=C(\C#N)/C(=O)N)O)O
InChI
InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+
InChIKey
USOXQZNJFMKTKJ-XVNBXDOJSA-N
Compound name
(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

688
Patents

204.0535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 149.4
[M+Na]+ 227.04272 158.2
[M-H]- 203.04622 150.1
[M+NH4]+ 222.08732 164.6
[M+K]+ 243.01666 154.9
[M+H-H2O]+ 187.05076 137.3
[M+HCOO]- 249.05170 166.5
[M+CH3COO]- 263.06735 195.0
[M+Na-2H]- 225.02817 150.6
[M]+ 204.05295 141.4
[M]- 204.05405 141.4
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