CID 28480

17329-19-0

Structural Information

Molecular Formula
C16H20N2O2
SMILES
C1=COC(=C1)C=NCCCCCCN=CC2=CC=CO2
InChI
InChI=1S/C16H20N2O2/c1(3-9-17-13-15-7-5-11-19-15)2-4-10-18-14-16-8-6-12-20-16/h5-8,11-14H,1-4,9-10H2
InChIKey
LMXJMWBWWSFMLA-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.15247 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 165.5
[M+Na]+ 295.14169 171.8
[M-H]- 271.14519 175.6
[M+NH4]+ 290.18629 183.1
[M+K]+ 311.11563 171.1
[M+H-H2O]+ 255.14973 157.8
[M+HCOO]- 317.15067 195.9
[M+CH3COO]- 331.16632 204.1
[M+Na-2H]- 293.12714 171.6
[M]+ 272.15192 172.9
[M]- 272.15302 172.9
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