CID 15954926

2-[4-[(5-chloro-2-hydroxy-4-methoxy-phenyl)carbamothioylamino]phenyl]acetamide

Structural Information

Molecular Formula
C16H16ClN3O3S
SMILES
COC1=C(C=C(C(=C1)O)NC(=S)NC2=CC=C(C=C2)CC(=O)N)Cl
InChI
InChI=1S/C16H16ClN3O3S/c1-23-14-8-13(21)12(7-11(14)17)20-16(24)19-10-4-2-9(3-5-10)6-15(18)22/h2-5,7-8,21H,6H2,1H3,(H2,18,22)(H2,19,20,24)
InChIKey
OJAFWGWLVPQFLE-UHFFFAOYSA-N
Compound name
2-[4-[(5-chloro-2-hydroxy-4-methoxyphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0601 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.06738 181.6
[M+Na]+ 388.04932 188.1
[M-H]- 364.05282 186.7
[M+NH4]+ 383.09392 193.7
[M+K]+ 404.02326 181.7
[M+H-H2O]+ 348.05736 174.7
[M+HCOO]- 410.05830 195.2
[M+CH3COO]- 424.07395 217.7
[M+Na-2H]- 386.03477 180.8
[M]+ 365.05955 183.9
[M]- 365.06065 183.9
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.