CID 3003284

N-[[4-(1-methylbutoxy)phenyl]carbamothioyl]furan-2-carboxamide

Structural Information

Molecular Formula
C17H20N2O3S
SMILES
CCCC(C)OC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CO2
InChI
InChI=1S/C17H20N2O3S/c1-3-5-12(2)22-14-9-7-13(8-10-14)18-17(23)19-16(20)15-6-4-11-21-15/h4,6-12H,3,5H2,1-2H3,(H2,18,19,20,23)
InChIKey
QJZBNLFVDIZYOH-UHFFFAOYSA-N
Compound name
N-[(4-pentan-2-yloxyphenyl)carbamothioyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.11948 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12676 181.6
[M+Na]+ 355.10870 185.9
[M-H]- 331.11220 188.7
[M+NH4]+ 350.15330 195.5
[M+K]+ 371.08264 183.5
[M+H-H2O]+ 315.11674 173.7
[M+HCOO]- 377.11768 199.7
[M+CH3COO]- 391.13333 210.8
[M+Na-2H]- 353.09415 180.6
[M]+ 332.11893 185.0
[M]- 332.12003 185.0
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.