CID 15954927

2-[4-[(3-chloro-4-methylsulfanyl-phenyl)carbamothioylamino]phenyl]acetamide

Structural Information

Molecular Formula
C16H16ClN3OS2
SMILES
CSC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)CC(=O)N)Cl
InChI
InChI=1S/C16H16ClN3OS2/c1-23-14-7-6-12(9-13(14)17)20-16(22)19-11-4-2-10(3-5-11)8-15(18)21/h2-7,9H,8H2,1H3,(H2,18,21)(H2,19,20,22)
InChIKey
ARQKNLGPXOYNBZ-UHFFFAOYSA-N
Compound name
2-[4-[(3-chloro-4-methylsulfanylphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.04233 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.04961 179.0
[M+Na]+ 388.03155 185.3
[M-H]- 364.03505 184.5
[M+NH4]+ 383.07615 191.9
[M+K]+ 404.00549 176.6
[M+H-H2O]+ 348.03959 172.2
[M+HCOO]- 410.04053 187.8
[M+CH3COO]- 424.05618 218.2
[M+Na-2H]- 386.01700 178.2
[M]+ 365.04178 180.5
[M]- 365.04288 180.5
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.