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]+ 325.165906 182.2
[M+Na]+ 347.147848 187.9
[M-H]- 323.151354 185.7
[M+NH4]+ 342.192453 187.6
[M+K]+ 363.121788 185.4
[M+H-H2O]+ 307.155890 168.3
[M+HCOO]- 369.156831 186.7
[M+CH3COO]- 383.172481 246.1
[M+Na-2H]- 345.133296 178.4
[M]+ 324.15808142 175.4
[M]- 324.15917858 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.