CID 667601

Tyrphostin 47

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
C1=CC(=C(C=C1/C=C(\C#N)/C(=S)N)O)O
InChI
InChI=1S/C10H8N2O2S/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
ZGHQGWOETPXKLY-XVNBXDOJSA-N
Compound name
(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

226
References

2424
Patents

220.03065 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03793 156.6
[M+Na]+ 243.01987 165.6
[M-H]- 219.02337 157.8
[M+NH4]+ 238.06447 171.9
[M+K]+ 258.99381 161.2
[M+H-H2O]+ 203.02791 144.7
[M+HCOO]- 265.02885 168.4
[M+CH3COO]- 279.04450 196.3
[M+Na-2H]- 241.00532 155.4
[M]+ 220.03010 149.5
[M]- 220.03120 149.5
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