CID 2273

Azosemide

Structural Information

Molecular Formula
C12H11ClN6O2S2
SMILES
C1=CSC(=C1)CNC2=CC(=C(C=C2C3=NNN=N3)S(=O)(=O)N)Cl
InChI
InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)
InChIKey
HMEDEBAJARCKCT-UHFFFAOYSA-N
Compound name
2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

99
References

7526
Patents

370.00735 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.01463 178.7
[M+Na]+ 392.99657 191.1
[M-H]- 369.00007 184.1
[M+NH4]+ 388.04117 190.0
[M+K]+ 408.97051 182.9
[M+H-H2O]+ 353.00461 172.0
[M+HCOO]- 415.00555 187.5
[M+CH3COO]- 429.02120 189.0
[M+Na-2H]- 390.98202 179.6
[M]+ 370.00680 182.7
[M]- 370.00790 182.7
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

patents stripe