CID 22347227

330792-69-3

Structural Information

Molecular Formula
C17H12N2O2
SMILES
COC(=C(C#N)C#N)C1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C17H12N2O2/c1-20-17(14(11-18)12-19)13-7-9-16(10-8-13)21-15-5-3-2-4-6-15/h2-10H,1H3
InChIKey
IRVRZQLHMPWLLY-UHFFFAOYSA-N
Compound name
2-[methoxy-(4-phenoxyphenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

427
Patents

276.08987 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09715 177.2
[M+Na]+ 299.07909 186.4
[M-H]- 275.08259 181.2
[M+NH4]+ 294.12369 187.1
[M+K]+ 315.05303 180.1
[M+H-H2O]+ 259.08713 160.6
[M+HCOO]- 321.08807 188.5
[M+CH3COO]- 335.10372 225.4
[M+Na-2H]- 297.06454 177.1
[M]+ 276.08932 169.3
[M]- 276.09042 169.3
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