CID 15954822

Schembl6815301

Structural Information

Molecular Formula
C15H13Cl2N3OS
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H13Cl2N3OS/c1-9(21)18-10-2-4-11(5-3-10)19-15(22)20-12-6-7-13(16)14(17)8-12/h2-8H,1H3,(H,18,21)(H2,19,20,22)
InChIKey
XEOLKZSEUITENJ-UHFFFAOYSA-N
Compound name
N-[4-[(3,4-dichlorophenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

353.01562 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.02290 177.5
[M+Na]+ 376.00484 184.9
[M-H]- 352.00834 183.8
[M+NH4]+ 371.04944 191.6
[M+K]+ 391.97878 177.4
[M+H-H2O]+ 336.01288 171.7
[M+HCOO]- 398.01382 188.3
[M+CH3COO]- 412.02947 215.1
[M+Na-2H]- 373.99029 178.2
[M]+ 353.01507 180.3
[M]- 353.01617 180.3
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