CID 14149948

107738-97-6

Structural Information

Molecular Formula
C18H20N4O2
SMILES
CCN(CC(COC)OC)C1=CC=C(C=C1)C(=C(C#N)C#N)C#N
InChI
InChI=1S/C18H20N4O2/c1-4-22(12-17(24-3)13-23-2)16-7-5-14(6-8-16)18(11-21)15(9-19)10-20/h5-8,17H,4,12-13H2,1-3H3
InChIKey
GMKXKPCRJZGGFF-UHFFFAOYSA-N
Compound name
2-[4-[2,3-dimethoxypropyl(ethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

324.15863 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 182.2
[M+Na]+ 347.14785 187.9
[M-H]- 323.15135 185.7
[M+NH4]+ 342.19245 187.6
[M+K]+ 363.12179 185.4
[M+H-H2O]+ 307.15589 168.3
[M+HCOO]- 369.15683 186.7
[M+CH3COO]- 383.17248 246.1
[M+Na-2H]- 345.13330 178.4
[M]+ 324.15808 175.4
[M]- 324.15918 175.4
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.