CID 3000935

N-(4-chloro-3-ethylsulfanyl-phenyl)-2-methyl-furan-3-carbothioamide

Structural Information

Molecular Formula
C14H14ClNOS2
SMILES
CCSC1=C(C=CC(=C1)NC(=S)C2=C(OC=C2)C)Cl
InChI
InChI=1S/C14H14ClNOS2/c1-3-19-13-8-10(4-5-12(13)15)16-14(18)11-6-7-17-9(11)2/h4-8H,3H2,1-2H3,(H,16,18)
InChIKey
HTAVJENRDYCORA-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-ethylsulfanylphenyl)-2-methylfuran-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.02054 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.02782 168.7
[M+Na]+ 334.00976 178.5
[M-H]- 310.01326 176.8
[M+NH4]+ 329.05436 186.0
[M+K]+ 349.98370 172.3
[M+H-H2O]+ 294.01780 163.7
[M+HCOO]- 356.01874 178.2
[M+CH3COO]- 370.03439 203.4
[M+Na-2H]- 331.99521 167.0
[M]+ 311.01999 174.7
[M]- 311.02109 174.7
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.