CID 361851

Nsc625172

Structural Information

Molecular Formula
C20H8N6
SMILES
C1=CC2=C3C(=C1)NC(=C(C#N)C#N)NC4=CC=CC(=C43)C2=C(C#N)C#N
InChI
InChI=1S/C20H8N6/c21-7-11(8-22)17-13-3-1-5-15-18(13)19-14(17)4-2-6-16(19)26-20(25-15)12(9-23)10-24/h1-6,25-26H
InChIKey
NFAOXJNISLKRSW-UHFFFAOYSA-N
Compound name
2-[7-(dicyanomethylidene)-6,8-diazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),2,4,9,11,13-hexaen-16-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.08105 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08833 175.3
[M+Na]+ 355.07027 180.8
[M-H]- 331.07377 177.1
[M+NH4]+ 350.11487 177.9
[M+K]+ 371.04421 175.4
[M+H-H2O]+ 315.07831 166.9
[M+HCOO]- 377.07925 175.1
[M+CH3COO]- 391.09490 174.7
[M+Na-2H]- 353.05572 171.7
[M]+ 332.08050 169.5
[M]- 332.08160 169.5
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.