CID 3003283

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

Structural Information

Molecular Formula
C17H20N2O3S
SMILES
CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CO2
InChI
InChI=1S/C17H20N2O3S/c1-2-3-4-11-21-14-9-7-13(8-10-14)18-17(23)19-16(20)15-6-5-12-22-15/h5-10,12H,2-4,11H2,1H3,(H2,18,19,20,23)
InChIKey
UOXVWPQZEIZBLA-UHFFFAOYSA-N
Compound name
N-[(4-pentoxyphenyl)carbamothioyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.11948 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12676 180.7
[M+Na]+ 355.10870 185.4
[M-H]- 331.11220 187.7
[M+NH4]+ 350.15330 194.6
[M+K]+ 371.08264 182.3
[M+H-H2O]+ 315.11674 172.7
[M+HCOO]- 377.11768 199.9
[M+CH3COO]- 391.13333 209.9
[M+Na-2H]- 353.09415 180.8
[M]+ 332.11893 184.7
[M]- 332.12003 184.7
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.