CID 2830094

4-methoxy-n-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide

Structural Information

Molecular Formula
C17H17Cl3N4O4S2
SMILES
COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C17H17Cl3N4O4S2/c1-28-12-6-2-10(3-7-12)14(25)23-15(17(18,19)20)24-16(29)22-11-4-8-13(9-5-11)30(21,26)27/h2-9,15H,1H3,(H,23,25)(H2,21,26,27)(H2,22,24,29)
InChIKey
LYOQSTRXZXQVFD-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

509.97568 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.982956 203.6
[M+Na]+ 532.964898 207.1
[M-H]- 508.968404 207.9
[M+NH4]+ 528.009503 210.6
[M+K]+ 548.938838 200.5
[M+H-H2O]+ 492.972940 199.2
[M+HCOO]- 554.973881 201.1
[M+CH3COO]- 568.989531 237.9
[M+Na-2H]- 530.950346 205.4
[M]+ 509.97513142 207.1
[M]- 509.97622858 207.1
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.