CID 20701430

43kjv42jga

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CN(CC1=CC(=C(C=C1)OC)OC)C(=O)/C=C/C2=CN=CC=C2
InChI
InChI=1S/C18H20N2O3/c1-20(18(21)9-7-14-5-4-10-19-12-14)13-15-6-8-16(22-2)17(11-15)23-3/h4-12H,13H2,1-3H3/b9-7+
InChIKey
HOIFFGYKGILBPW-VQHVLOKHSA-N
Compound name
(E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

312.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.154676 174.3
[M+Na]+ 335.136618 180.4
[M-H]- 311.140124 180.7
[M+NH4]+ 330.181223 187.7
[M+K]+ 351.110558 177.8
[M+H-H2O]+ 295.144660 164.6
[M+HCOO]- 357.145601 197.5
[M+CH3COO]- 371.161251 211.2
[M+Na-2H]- 333.122066 177.3
[M]+ 312.14685142 178.6
[M]- 312.14794858 178.6
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

patents stripe