CID 5328802

(2e)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enamide

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C18H24N2O2/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
GUBROJUTOMZSOC-KPKJPENVSA-N
Compound name
(E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

300.18378 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.191056 181.4
[M+Na]+ 323.172998 189.1
[M-H]- 299.176504 183.2
[M+NH4]+ 318.217603 194.5
[M+K]+ 339.146938 185.9
[M+H-H2O]+ 283.181040 169.7
[M+HCOO]- 345.181981 194.5
[M+CH3COO]- 359.197631 217.4
[M+Na-2H]- 321.158446 180.1
[M]+ 300.18323142 175.7
[M]- 300.18432858 175.7
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