CID 6412590

Nsc166682

Structural Information

Molecular Formula
C18H16N2O2
SMILES
COC1=CC(=C(C=C1)OC)/C=C/C2=CN=NC3=CC=CC=C32
InChI
InChI=1S/C18H16N2O2/c1-21-15-9-10-18(22-2)13(11-15)7-8-14-12-19-20-17-6-4-3-5-16(14)17/h3-12H,1-2H3/b8-7+
InChIKey
VKBHPOSMLJQUEV-BQYQJAHWSA-N
Compound name
4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]cinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1212 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 169.2
[M+Na]+ 315.11042 178.4
[M-H]- 291.11392 174.1
[M+NH4]+ 310.15502 182.9
[M+K]+ 331.08436 172.8
[M+H-H2O]+ 275.11846 159.0
[M+HCOO]- 337.11940 189.7
[M+CH3COO]- 351.13505 180.5
[M+Na-2H]- 313.09587 176.0
[M]+ 292.12065 172.3
[M]- 292.12175 172.3
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

No patent data available for this compound.