CID 16728214

Acetamide, n-[2-chloro-4-(aminosulfonyl)phenyl]-2-[[5-iodo-4-(4-ethyl-1-naphthalenyl)-4h-1,2,4-triazol-3-yl]thio]-

Structural Information

Molecular Formula
C22H19ClIN5O3S2
SMILES
CCC1=CC=C(C2=CC=CC=C12)N3C(=NN=C3I)SCC(=O)NC4=C(C=C(C=C4)S(=O)(=O)N)Cl
InChI
InChI=1S/C22H19ClIN5O3S2/c1-2-13-7-10-19(16-6-4-3-5-15(13)16)29-21(24)27-28-22(29)33-12-20(30)26-18-9-8-14(11-17(18)23)34(25,31)32/h3-11H,2,12H2,1H3,(H,26,30)(H2,25,31,32)
InChIKey
VZAGWVDAHDISTO-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-ethylnaphthalen-1-yl)-5-iodo-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

626.96625 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 627.97353 225.8
[M+Na]+ 649.95547 229.2
[M-H]- 625.95897 225.7
[M+NH4]+ 645.00007 227.7
[M+K]+ 665.92941 226.1
[M+H-H2O]+ 609.96351 214.3
[M+HCOO]- 671.96445 227.5
[M+CH3COO]- 685.98010 228.9
[M+Na-2H]- 647.94092 216.0
[M]+ 626.96570 230.4
[M]- 626.96680 230.4
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

No patent data available for this compound.