CID 15954941

Schembl6815028

Structural Information

Molecular Formula
C15H13Cl2N3O2S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C(=C2)Cl)O)Cl
InChI
InChI=1S/C15H13Cl2N3O2S/c1-8(21)18-9-2-4-10(5-3-9)19-15(23)20-11-6-12(16)14(22)13(17)7-11/h2-7,22H,1H3,(H,18,21)(H2,19,20,23)
InChIKey
CRSHEBQXUQOSGK-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dichloro-4-hydroxyphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

369.01056 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.01784 179.7
[M+Na]+ 391.99978 187.3
[M-H]- 368.00328 185.1
[M+NH4]+ 387.04438 192.7
[M+K]+ 407.97372 179.8
[M+H-H2O]+ 352.00782 174.4
[M+HCOO]- 414.00876 189.3
[M+CH3COO]- 428.02441 216.3
[M+Na-2H]- 389.98523 179.7
[M]+ 369.01001 182.6
[M]- 369.01111 182.6
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