CID 5329255

Tyrphostin ag 537

Structural Information

Molecular Formula
C23H20N4O6
SMILES
C1=CC(=C(C=C1/C=C(/C(=O)NCCCNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N)\C#N)O)O
InChI
InChI=1S/C23H20N4O6/c24-12-16(8-14-2-4-18(28)20(30)10-14)22(32)26-6-1-7-27-23(33)17(13-25)9-15-3-5-19(29)21(31)11-15/h2-5,8-11,28-31H,1,6-7H2,(H,26,32)(H,27,33)/b16-8+,17-9+
InChIKey
ZHOKHSGWBNPFQU-GONBZBRSSA-N
Compound name
(E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

50
Patents

448.13828 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.14556 217.6
[M+Na]+ 471.12750 222.8
[M-H]- 447.13100 217.7
[M+NH4]+ 466.17210 220.3
[M+K]+ 487.10144 218.3
[M+H-H2O]+ 431.13554 200.8
[M+HCOO]- 493.13648 223.9
[M+CH3COO]- 507.15213 244.7
[M+Na-2H]- 469.11295 210.9
[M]+ 448.13773 206.8
[M]- 448.13883 206.8
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.