CID 10423585

N-[3-cyano-3-[4-(dicyanomethyl)phenyl]-2-propenylidene]-n-ethyl-ethaniminium inner salt

Structural Information

Molecular Formula
C17H16N4
SMILES
CCN(CC)/C=C/C(=C1C=CC(=C(C#N)C#N)C=C1)C#N
InChI
InChI=1S/C17H16N4/c1-3-21(4-2)10-9-16(11-18)14-5-7-15(8-6-14)17(12-19)13-20/h5-10H,3-4H2,1-2H3/b10-9+
InChIKey
XURNBIJGNBABLW-MDZDMXLPSA-N
Compound name
2-[4-[(E)-1-cyano-3-(diethylamino)prop-2-enylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

276.13748 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14476 182.7
[M+Na]+ 299.12670 189.2
[M-H]- 275.13020 186.4
[M+NH4]+ 294.17130 189.0
[M+K]+ 315.10064 185.3
[M+H-H2O]+ 259.13474 168.9
[M+HCOO]- 321.13568 187.5
[M+CH3COO]- 335.15133 242.2
[M+Na-2H]- 297.11215 179.0
[M]+ 276.13693 174.4
[M]- 276.13803 174.4
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

patents stripe