CID 8811377

Ethyl 2-cyano-3-[(2-methoxy-5-methylphenyl)amino]prop-2-enoate

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CCOC(=O)/C(=C/NC1=C(C=CC(=C1)C)OC)/C#N
InChI
InChI=1S/C14H16N2O3/c1-4-19-14(17)11(8-15)9-16-12-7-10(2)5-6-13(12)18-3/h5-7,9,16H,4H2,1-3H3/b11-9+
InChIKey
IDXWFKMEKDOMQY-PKNBQFBNSA-N
Compound name
ethyl (E)-2-cyano-3-(2-methoxy-5-methylanilino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 161.5
[M+Na]+ 283.105318 169.7
[M-H]- 259.108824 164.5
[M+NH4]+ 278.149923 176.4
[M+K]+ 299.079258 167.2
[M+H-H2O]+ 243.113360 148.2
[M+HCOO]- 305.114301 180.8
[M+CH3COO]- 319.129951 210.0
[M+Na-2H]- 281.090766 163.1
[M]+ 260.11555142 159.1
[M]- 260.11664858 159.1
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.