CID 2052

Tyrphostin 23

Structural Information

Molecular Formula
C10H6N2O2
SMILES
C1=CC(=C(C=C1C=C(C#N)C#N)O)O
InChI
InChI=1S/C10H6N2O2/c11-5-8(6-12)3-7-1-2-9(13)10(14)4-7/h1-4,13-14H
InChIKey
VTJXFTPMFYAJJU-UHFFFAOYSA-N
Compound name
2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

166
References

2550
Patents

186.04292 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05020 156.2
[M+Na]+ 209.03214 166.1
[M-H]- 185.03564 158.3
[M+NH4]+ 204.07674 168.4
[M+K]+ 225.00608 162.3
[M+H-H2O]+ 169.04018 141.8
[M+HCOO]- 231.04112 167.2
[M+CH3COO]- 245.05677 211.6
[M+Na-2H]- 207.01759 157.2
[M]+ 186.04237 147.1
[M]- 186.04347 147.1
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