CID 6433800

Abbott-25794

Structural Information

Molecular Formula
C17H21NO4
SMILES
CC(C)(C#C)NC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C17H21NO4/c1-7-17(2,3)18-15(19)9-8-12-10-13(20-4)16(22-6)14(11-12)21-5/h1,8-11H,2-6H3,(H,18,19)/b9-8+
InChIKey
APIXMWJMJACVBU-CMDGGOBGSA-N
Compound name
(E)-N-(2-methylbut-3-yn-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15434 168.7
[M+Na]+ 326.13628 178.4
[M+NH4]+ 321.18088 170.4
[M+K]+ 342.11022 170.6
[M-H]- 302.13978 160.7
[M+Na-2H]- 324.12173 169.2
[M]+ 303.14651 166.8
[M]- 303.14761 166.8
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

No patent data available for this compound.