CID 91972128

2,2'-(2-vinylanthracene-9,10-diylidene)dimalononitrile

Structural Information

Molecular Formula
C22H10N4
SMILES
C=CC1=CC2=C(C=C1)C(=C(C#N)C#N)C3=CC=CC=C3C2=C(C#N)C#N
InChI
InChI=1S/C22H10N4/c1-2-14-7-8-19-20(9-14)22(16(12-25)13-26)18-6-4-3-5-17(18)21(19)15(10-23)11-24/h2-9H,1H2
InChIKey
SUTLXPZYDBOIRV-UHFFFAOYSA-N
Compound name
2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

330.09055 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09783 179.0
[M+Na]+ 353.07977 185.2
[M-H]- 329.08327 182.2
[M+NH4]+ 348.12437 182.1
[M+K]+ 369.05371 179.1
[M+H-H2O]+ 313.08781 170.7
[M+HCOO]- 375.08875 179.7
[M+CH3COO]- 389.10440 178.8
[M+Na-2H]- 351.06522 175.2
[M]+ 330.09000 173.4
[M]- 330.09110 173.4
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