CID 135419190

Tyrphostin ag 879

Structural Information

Molecular Formula
C18H24N2OS
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/C(=S)N
InChI
InChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)/b12-7+
InChIKey
XRZYELWZLNAXGE-KPKJPENVSA-N
Compound name
(E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

65
References

1321
Patents

316.16095 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16823 174.3
[M+Na]+ 339.15017 182.4
[M+NH4]+ 334.19477 176.8
[M+K]+ 355.12411 173.8
[M-H]- 315.15367 167.2
[M+Na-2H]- 337.13562 174.4
[M]+ 316.16040 173.0
[M]- 316.16150 173.0
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