CID 3003208

2-(2,6-dichlorophenyl)-2-[(2-nitrophenyl)carbamothioylamino]acetamide

Structural Information

Molecular Formula
C15H12Cl2N4O3S
SMILES
C1=CC=C(C(=C1)NC(=S)NC(C2=C(C=CC=C2Cl)Cl)C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C15H12Cl2N4O3S/c16-8-4-3-5-9(17)12(8)13(14(18)22)20-15(25)19-10-6-1-2-7-11(10)21(23)24/h1-7,13H,(H2,18,22)(H2,19,20,25)
InChIKey
OHWSEDMDBZYFDI-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-2-[(2-nitrophenyl)carbamothioylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.0007 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.00798 183.9
[M+Na]+ 420.98992 187.7
[M-H]- 396.99342 188.8
[M+NH4]+ 416.03452 194.0
[M+K]+ 436.96386 177.5
[M+H-H2O]+ 380.99796 182.4
[M+HCOO]- 442.99890 193.8
[M+CH3COO]- 457.01455 216.6
[M+Na-2H]- 418.97537 184.5
[M]+ 398.00015 183.5
[M]- 398.00125 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.