CID 15954814

Schembl6811865

Structural Information

Molecular Formula
C16H15Cl2N3OS
SMILES
CC1=C(C=C(C=C1Cl)NC(=S)NC2=CC=C(C=C2)NC(=O)C)Cl
InChI
InChI=1S/C16H15Cl2N3OS/c1-9-14(17)7-13(8-15(9)18)21-16(23)20-12-5-3-11(4-6-12)19-10(2)22/h3-8H,1-2H3,(H,19,22)(H2,20,21,23)
InChIKey
WXLSPEWCYBFFOZ-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dichloro-4-methylphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

367.03128 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.03856 182.2
[M+Na]+ 390.02050 190.0
[M-H]- 366.02400 188.8
[M+NH4]+ 385.06510 196.1
[M+K]+ 405.99444 182.4
[M+H-H2O]+ 350.02854 176.5
[M+HCOO]- 412.02948 192.6
[M+CH3COO]- 426.04513 219.2
[M+Na-2H]- 388.00595 181.7
[M]+ 367.03073 185.8
[M]- 367.03183 185.8
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