CID 9908075

Schembl6814992

Structural Information

Molecular Formula
C16H15Cl2N3O2S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C(=C2)Cl)OC)Cl
InChI
InChI=1S/C16H15Cl2N3O2S/c1-9(22)19-10-3-5-11(6-4-10)20-16(24)21-12-7-13(17)15(23-2)14(18)8-12/h3-8H,1-2H3,(H,19,22)(H2,20,21,24)
InChIKey
FGNLMRLPFPCYRP-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dichloro-4-methoxyphenyl)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 184.7
[M+Na]+ 406.01542 192.3
[M-H]- 382.01892 191.3
[M+NH4]+ 401.06002 197.9
[M+K]+ 421.98936 185.3
[M+H-H2O]+ 366.02346 178.8
[M+HCOO]- 428.02440 195.4
[M+CH3COO]- 442.04005 221.4
[M+Na-2H]- 404.00087 184.5
[M]+ 383.02565 189.7
[M]- 383.02675 189.7
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