CID 3003280

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

Structural Information

Molecular Formula
C15H16N2O3S
SMILES
CCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CO2
InChI
InChI=1S/C15H16N2O3S/c1-2-9-19-12-7-5-11(6-8-12)16-15(21)17-14(18)13-4-3-10-20-13/h3-8,10H,2,9H2,1H3,(H2,16,17,18,21)
InChIKey
VUELBDBBADUPIT-UHFFFAOYSA-N
Compound name
N-[(4-propoxyphenyl)carbamothioyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.08817 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09545 171.8
[M+Na]+ 327.07739 177.4
[M-H]- 303.08089 179.3
[M+NH4]+ 322.12199 187.0
[M+K]+ 343.05133 174.8
[M+H-H2O]+ 287.08543 164.3
[M+HCOO]- 349.08637 191.7
[M+CH3COO]- 363.10202 204.0
[M+Na-2H]- 325.06284 172.9
[M]+ 304.08762 175.2
[M]- 304.08872 175.2
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.