CID 16728210

Acetamide, n-[4-(aminosulfonyl)-2-chlorophenyl]-2-[[(4-cyclopropyl-1-naphthalenyl)-4h-1,2,4-triazol-3-yl]thio]-

Structural Information

Molecular Formula
C23H20ClN5O3S2
SMILES
C1CC1C2=CC=C(C3=CC=CC=C23)N4C=NN=C4SCC(=O)NC5=C(C=C(C=C5)S(=O)(=O)N)Cl
InChI
InChI=1S/C23H20ClN5O3S2/c24-19-11-15(34(25,31)32)7-9-20(19)27-22(30)12-33-23-28-26-13-29(23)21-10-8-16(14-5-6-14)17-3-1-2-4-18(17)21/h1-4,7-11,13-14H,5-6,12H2,(H,27,30)(H2,25,31,32)
InChIKey
QWYJMADHXMDPBT-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.0696 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.07688 207.5
[M+Na]+ 536.05882 218.2
[M-H]- 512.06232 216.8
[M+NH4]+ 531.10342 209.3
[M+K]+ 552.03276 208.4
[M+H-H2O]+ 496.06686 200.7
[M+HCOO]- 558.06780 214.9
[M+CH3COO]- 572.08345 214.9
[M+Na-2H]- 534.04427 209.7
[M]+ 513.06905 216.0
[M]- 513.07015 216.0
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.