CID 3003281

N-[(4-butoxyphenyl)carbamothioyl]furan-2-carboxamide

Structural Information

Molecular Formula
C16H18N2O3S
SMILES
CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CO2
InChI
InChI=1S/C16H18N2O3S/c1-2-3-10-20-13-8-6-12(7-9-13)17-16(22)18-15(19)14-5-4-11-21-14/h4-9,11H,2-3,10H2,1H3,(H2,17,18,19,22)
InChIKey
FKFSSBFZIXQQJJ-UHFFFAOYSA-N
Compound name
N-[(4-butoxyphenyl)carbamothioyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.10382 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11110 176.3
[M+Na]+ 341.09304 181.4
[M-H]- 317.09654 183.5
[M+NH4]+ 336.13764 190.8
[M+K]+ 357.06698 178.6
[M+H-H2O]+ 301.10108 168.5
[M+HCOO]- 363.10202 195.8
[M+CH3COO]- 377.11767 206.9
[M+Na-2H]- 339.07849 176.9
[M]+ 318.10327 180.0
[M]- 318.10437 180.0
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.