CID 215005

34745-95-4

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC(=O)C=C
InChI
InChI=1S/C17H25NO2/c1-8-14(19)18-11-9-12(16(2,3)4)15(20)13(10-11)17(5,6)7/h8-10,20H,1H2,2-7H3,(H,18,19)
InChIKey
HMUWRTAPFAQCGK-UHFFFAOYSA-N
Compound name
N-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

275.18854 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 166.4
[M+Na]+ 298.17776 173.3
[M-H]- 274.18126 169.1
[M+NH4]+ 293.22236 182.8
[M+K]+ 314.15170 170.1
[M+H-H2O]+ 258.18580 161.4
[M+HCOO]- 320.18674 184.6
[M+CH3COO]- 334.20239 203.4
[M+Na-2H]- 296.16321 168.9
[M]+ 275.18799 167.5
[M]- 275.18909 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe