CID 15954944

Schembl6814332

Structural Information

Molecular Formula
C16H15Cl2N3O2S
SMILES
CC1=C(C(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C)Cl)O)Cl
InChI
InChI=1S/C16H15Cl2N3O2S/c1-8-13(7-12(17)15(23)14(8)18)21-16(24)20-11-5-3-10(4-6-11)19-9(2)22/h3-7,23H,1-2H3,(H,19,22)(H2,20,21,24)
InChIKey
OXENGAVDZYEAEE-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dichloro-4-hydroxy-2-methylphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

383.0262 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.03348 184.5
[M+Na]+ 406.01542 192.4
[M-H]- 382.01892 190.0
[M+NH4]+ 401.06002 197.2
[M+K]+ 421.98936 184.8
[M+H-H2O]+ 366.02346 179.2
[M+HCOO]- 428.02440 193.7
[M+CH3COO]- 442.04005 220.5
[M+Na-2H]- 404.00087 183.2
[M]+ 383.02565 188.1
[M]- 383.02675 188.1
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