CID 6433800

22198-93-2

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 173.0
[M+Na]+ 326.13628 181.8
[M-H]- 302.13978 175.1
[M+NH4]+ 321.18088 186.4
[M+K]+ 342.11022 178.7
[M+H-H2O]+ 286.14432 160.6
[M+HCOO]- 348.14526 189.0
[M+CH3COO]- 362.16091 213.8
[M+Na-2H]- 324.12173 173.9
[M]+ 303.14651 172.4
[M]- 303.14761 172.4
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.