CID 2825982

Ns00016983

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CN1C=CC=C1C(=CC2=CC(=C(C(=C2)OC)OC)OC)C#N
InChI
InChI=1S/C17H18N2O3/c1-19-7-5-6-14(19)13(11-18)8-12-9-15(20-2)17(22-4)16(10-12)21-3/h5-10H,1-4H3
InChIKey
ZIZRZEJZNZCQIZ-UHFFFAOYSA-N
Compound name
2-(1-methylpyrrol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

298.13174 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.139016 168.9
[M+Na]+ 321.120958 179.4
[M-H]- 297.124464 173.4
[M+NH4]+ 316.165563 183.1
[M+K]+ 337.094898 175.0
[M+H-H2O]+ 281.129000 154.3
[M+HCOO]- 343.129941 187.8
[M+CH3COO]- 357.145591 214.6
[M+Na-2H]- 319.106406 168.8
[M]+ 298.13119142 168.7
[M]- 298.13228858 168.7
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.