CID 15954806

Schembl6815294

Structural Information

Molecular Formula
C17H16Cl2N4O3S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C(=C2)Cl)OCC(=O)N)Cl
InChI
InChI=1S/C17H16Cl2N4O3S/c1-9(24)21-10-2-4-11(5-3-10)22-17(27)23-12-6-13(18)16(14(19)7-12)26-8-15(20)25/h2-7H,8H2,1H3,(H2,20,25)(H,21,24)(H2,22,23,27)
InChIKey
VYZRSFZGFBXKHJ-UHFFFAOYSA-N
Compound name
2-[4-[(4-acetamidophenyl)carbamothioylamino]-2,6-dichlorophenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

426.032 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.03928 194.9
[M+Na]+ 449.02122 200.7
[M-H]- 425.02472 200.7
[M+NH4]+ 444.06582 205.3
[M+K]+ 464.99516 194.2
[M+H-H2O]+ 409.02926 188.6
[M+HCOO]- 471.03020 205.1
[M+CH3COO]- 485.04585 231.5
[M+Na-2H]- 447.00667 193.2
[M]+ 426.03145 198.8
[M]- 426.03255 198.8
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