CID 93588

Einecs 260-637-7

Structural Information

Molecular Formula
C16H11N3
SMILES
CCN1C2=CC=CC3=C2C(=CC=C3)C1=C(C#N)C#N
InChI
InChI=1S/C16H11N3/c1-2-19-14-8-4-6-11-5-3-7-13(15(11)14)16(19)12(9-17)10-18/h3-8H,2H2,1H3
InChIKey
RSMGAXDNPYPPHB-UHFFFAOYSA-N
Compound name
2-(1-ethylbenzo[cd]indol-2-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

245.09529 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.102566 173.7
[M+Na]+ 268.084508 186.4
[M-H]- 244.088014 176.0
[M+NH4]+ 263.129113 186.8
[M+K]+ 284.058448 176.5
[M+H-H2O]+ 228.092550 157.5
[M+HCOO]- 290.093491 184.8
[M+CH3COO]- 304.109141 180.6
[M+Na-2H]- 266.069956 175.0
[M]+ 245.09474142 167.5
[M]- 245.09583858 167.5
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.