CID 41459

55490-87-4

Structural Information

Molecular Formula
C18H10N2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C(C#N)C#N
InChI
InChI=1S/C18H10N2/c19-11-13(12-20)9-18-16-7-3-1-5-14(16)10-15-6-2-4-8-17(15)18/h1-10H
InChIKey
RDMANBWYQHJIFZ-UHFFFAOYSA-N
Compound name
2-(anthracen-9-ylmethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

372
Patents

254.0844 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09168 188.0
[M+Na]+ 277.07362 199.3
[M+NH4]+ 272.11822 189.8
[M+K]+ 293.04756 185.9
[M-H]- 253.07712 179.8
[M+Na-2H]- 275.05907 188.1
[M]+ 254.08385 186.3
[M]- 254.08495 186.3
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