CID 15954852

Schembl6815957

Structural Information

Molecular Formula
C16H16ClN3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2OC)O)Cl
InChI
InChI=1S/C16H16ClN3O3S/c1-9(21)18-10-3-5-11(6-4-10)19-16(24)20-13-7-12(17)14(22)8-15(13)23-2/h3-8,22H,1-2H3,(H,18,21)(H2,19,20,24)
InChIKey
KICGFVXYESCBRV-UHFFFAOYSA-N
Compound name
N-[4-[(5-chloro-4-hydroxy-2-methoxyphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

365.0601 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.06738 181.6
[M+Na]+ 388.04932 188.2
[M-H]- 364.05282 187.3
[M+NH4]+ 383.09392 194.1
[M+K]+ 404.02326 182.1
[M+H-H2O]+ 348.05736 174.7
[M+HCOO]- 410.05830 195.9
[M+CH3COO]- 424.07395 217.5
[M+Na-2H]- 386.03477 181.9
[M]+ 365.05955 184.8
[M]- 365.06065 184.8
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

patents stripe