CID 1829320

573931-57-4

Structural Information

Molecular Formula
C16H17N5O4S2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CO3
InChI
InChI=1S/C16H17N5O4S2/c1-2-21-15(13-4-3-9-25-13)19-20-16(21)26-10-14(22)18-11-5-7-12(8-6-11)27(17,23)24/h3-9H,2,10H2,1H3,(H,18,22)(H2,17,23,24)
InChIKey
IUVZWRLKOYSSLF-UHFFFAOYSA-N
Compound name
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.0722 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.07948 192.7
[M+Na]+ 430.06142 202.7
[M-H]- 406.06492 200.8
[M+NH4]+ 425.10602 202.1
[M+K]+ 446.03536 197.9
[M+H-H2O]+ 390.06946 185.5
[M+HCOO]- 452.07040 206.4
[M+CH3COO]- 466.08605 219.3
[M+Na-2H]- 428.04687 192.9
[M]+ 407.07165 199.3
[M]- 407.07275 199.3
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.