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 170.6
[M+Na]+ 324.13186 175.2
[M-H]- 300.13536 179.0
[M+NH4]+ 319.17646 185.5
[M+K]+ 340.10580 173.7
[M+H-H2O]+ 284.13990 161.7
[M+HCOO]- 346.14084 198.7
[M+CH3COO]- 360.15649 210.1
[M+Na-2H]- 322.11731 175.8
[M]+ 301.14209 173.8
[M]- 301.14319 173.8
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.