CID 22788897

30077-75-9

Structural Information

Molecular Formula
C18H18N2O2
SMILES
COC1=C(C=C(C=C1)C/C(=C\NC2=CC=CC=C2)/C#N)OC
InChI
InChI=1S/C18H18N2O2/c1-21-17-9-8-14(11-18(17)22-2)10-15(12-19)13-20-16-6-4-3-5-7-16/h3-9,11,13,20H,10H2,1-2H3/b15-13+
InChIKey
WRWFNXNJEVRTQT-FYWRMAATSA-N
Compound name
(E)-3-anilino-2-[(3,4-dimethoxyphenyl)methyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.144116 173.6
[M+Na]+ 317.126058 181.8
[M-H]- 293.129564 178.5
[M+NH4]+ 312.170663 186.7
[M+K]+ 333.099998 176.2
[M+H-H2O]+ 277.134100 158.9
[M+HCOO]- 339.135041 193.3
[M+CH3COO]- 353.150691 215.5
[M+Na-2H]- 315.111506 176.3
[M]+ 294.13629142 169.9
[M]- 294.13738858 169.9
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.