CID 90608

Ethenetricarbonitrile, [4-(diethylamino)phenyl]-

Structural Information

Molecular Formula
C15H14N4
SMILES
CCN(CC)C1=CC=C(C=C1)C(=C(C#N)C#N)C#N
InChI
InChI=1S/C15H14N4/c1-3-19(4-2)14-7-5-12(6-8-14)15(11-18)13(9-16)10-17/h5-8H,3-4H2,1-2H3
InChIKey
OOAQCESADLTRLQ-UHFFFAOYSA-N
Compound name
2-[4-(diethylamino)phenyl]ethene-1,1,2-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

39
Patents

250.12184 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.129116 176.5
[M+Na]+ 273.111058 183.0
[M-H]- 249.114564 180.3
[M+NH4]+ 268.155663 183.1
[M+K]+ 289.084998 179.9
[M+H-H2O]+ 233.119100 162.9
[M+HCOO]- 295.120041 181.5
[M+CH3COO]- 309.135691 241.1
[M+Na-2H]- 271.096506 173.6
[M]+ 250.12129142 168.5
[M]- 250.12238858 168.5
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

patents stripe