CID 90608

24789-99-9

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

1
Annotation Hits: 1
References: 35
Patents: 250.12184 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	251.12912	203.8
[M+Na]+	273.11106	208.0
[M+NH4]+	268.15566	202.0
[M+K]+	289.08500	198.7
[M-H]-	249.11456	194.7
[M+Na-2H]-	271.09651	199.7
[M]+	250.12129	200.7
[M]-	250.12239	200.7

Literature stripe

literature stripe

Patent stripe

patents stripe