CID 5046243

2-[methoxy(naphthalen-1-yl)methylidene]propanedinitrile

Structural Information

Molecular Formula
C15H10N2O
SMILES
COC(=C(C#N)C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H10N2O/c1-18-15(12(9-16)10-17)14-8-4-6-11-5-2-3-7-13(11)14/h2-8H,1H3
InChIKey
XQWRQOZYYLGZMS-UHFFFAOYSA-N
Compound name
2-[methoxy(naphthalen-1-yl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.07932 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.086596 169.6
[M+Na]+ 257.068538 179.7
[M-H]- 233.072044 172.8
[M+NH4]+ 252.113143 181.7
[M+K]+ 273.042478 172.7
[M+H-H2O]+ 217.076580 154.2
[M+HCOO]- 279.077521 180.3
[M+CH3COO]- 293.093171 221.4
[M+Na-2H]- 255.053986 170.8
[M]+ 234.07877142 161.4
[M]- 234.07986858 161.4
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