CID 5170325

Ns00018701

Structural Information

Molecular Formula
C14H17N3O3
SMILES
CN(C)C=C(C#N)C(=O)NC1=C(C=C(C=C1)OC)OC
InChI
InChI=1S/C14H17N3O3/c1-17(2)9-10(8-15)14(18)16-12-6-5-11(19-3)7-13(12)20-4/h5-7,9H,1-4H3,(H,16,18)
InChIKey
ZUWXXISCYRTZSJ-UHFFFAOYSA-N
Compound name
2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

275.12698 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.134256 166.3
[M+Na]+ 298.116198 173.5
[M-H]- 274.119704 170.3
[M+NH4]+ 293.160803 180.6
[M+K]+ 314.090138 172.6
[M+H-H2O]+ 258.124240 152.3
[M+HCOO]- 320.125181 186.7
[M+CH3COO]- 334.140831 217.7
[M+Na-2H]- 296.101646 167.2
[M]+ 275.12643142 164.1
[M]- 275.12752858 164.1
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

No patent data available for this compound.