CID 9589545

2-furaldehyde, 4-(p-octyloxyphenyl)semicarbazone

Structural Information

Molecular Formula
C20H27N3O3
SMILES
CCCCCCCCOC1=CC=C(C=C1)NC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C20H27N3O3/c1-2-3-4-5-6-7-14-25-18-12-10-17(11-13-18)22-20(24)23-21-16-19-9-8-15-26-19/h8-13,15-16H,2-7,14H2,1H3,(H2,22,23,24)/b21-16+
InChIKey
FSJMAPZHHWWEOY-LTGZKZEYSA-N
Compound name
1-[(E)-furan-2-ylmethylideneamino]-3-(4-octoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.20523 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21251 188.7
[M+Na]+ 380.19445 191.4
[M-H]- 356.19795 196.2
[M+NH4]+ 375.23905 201.2
[M+K]+ 396.16839 189.1
[M+H-H2O]+ 340.20249 178.9
[M+HCOO]- 402.20343 215.4
[M+CH3COO]- 416.21908 222.0
[M+Na-2H]- 378.17990 191.8
[M]+ 357.20468 193.2
[M]- 357.20578 193.2
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.