CID 9798473

Schembl6816348

Structural Information

Molecular Formula
C16H16ClN3O2S
SMILES
CC1=CC(=CC(=C1O)Cl)NC(=S)NC2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C16H16ClN3O2S/c1-9-7-13(8-14(17)15(9)22)20-16(23)19-12-5-3-11(4-6-12)18-10(2)21/h3-8,22H,1-2H3,(H,18,21)(H2,19,20,23)
InChIKey
NOLABLXHJMFHFY-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloro-4-hydroxy-5-methylphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

349.0652 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.07248 179.0
[M+Na]+ 372.05442 185.9
[M-H]- 348.05792 184.8
[M+NH4]+ 367.09902 192.2
[M+K]+ 388.02836 179.1
[M+H-H2O]+ 332.06246 172.3
[M+HCOO]- 394.06340 193.1
[M+CH3COO]- 408.07905 215.2
[M+Na-2H]- 370.03987 179.0
[M]+ 349.06465 180.8
[M]- 349.06575 180.8
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