CID 5328771

Tyrphostin b48

Structural Information

Molecular Formula
C16H12N2O3
SMILES
C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N
InChI
InChI=1S/C16H12N2O3/c17-10-12(8-11-6-7-14(19)15(20)9-11)16(21)18-13-4-2-1-3-5-13/h1-9,19-20H,(H,18,21)/b12-8+
InChIKey
HKHOVJYOELRGMV-XYOKQWHBSA-N
Compound name
(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

258
Patents

280.08478 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.092056 172.3
[M+Na]+ 303.073998 180.3
[M-H]- 279.077504 175.2
[M+NH4]+ 298.118603 184.4
[M+K]+ 319.047938 174.4
[M+H-H2O]+ 263.082040 158.4
[M+HCOO]- 325.082981 189.3
[M+CH3COO]- 339.098631 207.4
[M+Na-2H]- 301.059446 173.6
[M]+ 280.08423142 164.6
[M]- 280.08532858 164.6
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