CID 9589543

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

Structural Information

Molecular Formula
C16H19N3O3
SMILES
CCCCOC1=CC=C(C=C1)NC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C16H19N3O3/c1-2-3-10-21-14-8-6-13(7-9-14)18-16(20)19-17-12-15-5-4-11-22-15/h4-9,11-12H,2-3,10H2,1H3,(H2,18,19,20)/b17-12+
InChIKey
WYDCTETWBQARAQ-SFQUDFHCSA-N
Compound name
1-(4-butoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.14264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 173.3
[M+Na]+ 324.13186 182.4
[M+NH4]+ 319.17646 179.4
[M+K]+ 340.10580 178.0
[M-H]- 300.13536 178.6
[M+Na-2H]- 322.11731 179.3
[M]+ 301.14209 175.7
[M]- 301.14319 175.7
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.