CID 15954839

Schembl6815240

Structural Information

Molecular Formula
C17H18ClN3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=C(C(=C(C=C2)OC)Cl)OC
InChI
InChI=1S/C17H18ClN3O3S/c1-10(22)19-11-4-6-12(7-5-11)20-17(25)21-13-8-9-14(23-2)15(18)16(13)24-3/h4-9H,1-3H3,(H,19,22)(H2,20,21,25)
InChIKey
VFTKAGFBKDXXQM-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

379.07574 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08302 186.4
[M+Na]+ 402.06496 193.0
[M-H]- 378.06846 193.4
[M+NH4]+ 397.10956 199.0
[M+K]+ 418.03890 187.5
[M+H-H2O]+ 362.07300 178.9
[M+HCOO]- 424.07394 201.9
[M+CH3COO]- 438.08959 222.6
[M+Na-2H]- 400.05041 186.6
[M]+ 379.07519 191.8
[M]- 379.07629 191.8
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