CID 2061

Tyrphostin 25

Structural Information

Molecular Formula
C10H6N2O3
SMILES
C1=C(C=C(C(=C1O)O)O)C=C(C#N)C#N
InChI
InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H
InChIKey
YZOFLYUAQDJWKV-UHFFFAOYSA-N
Compound name
2-[(3,4,5-trihydroxyphenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

100
References

660
Patents

202.03784 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04512 158.9
[M+Na]+ 225.02706 168.8
[M-H]- 201.03056 160.4
[M+NH4]+ 220.07166 170.3
[M+K]+ 241.00100 165.3
[M+H-H2O]+ 185.03510 144.7
[M+HCOO]- 247.03604 169.0
[M+CH3COO]- 261.05169 212.3
[M+Na-2H]- 223.01251 159.0
[M]+ 202.03729 149.6
[M]- 202.03839 149.6
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