CID 5275084

2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-n-(2-sulfamoylphenyl)acetamide

Structural Information

Molecular Formula
C19H16N6O3S2
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=CC=CC=C4S(=O)(=O)N
InChI
InChI=1S/C19H16N6O3S2/c20-30(27,28)17-11-4-3-9-15(17)21-18(26)12-29-19-22-23-24-25(19)16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,21,26)(H2,20,27,28)
InChIKey
FGARZUUYBUOFJQ-UHFFFAOYSA-N
Compound name
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.07254 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.07982 197.8
[M+Na]+ 463.06176 207.9
[M-H]- 439.06526 203.7
[M+NH4]+ 458.10636 204.4
[M+K]+ 479.03570 199.6
[M+H-H2O]+ 423.06980 189.3
[M+HCOO]- 485.07074 208.6
[M+CH3COO]- 499.08639 206.0
[M+Na-2H]- 461.04721 202.8
[M]+ 440.07199 201.9
[M]- 440.07309 201.9
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.