CID 394907

Nsc699000

Structural Information

Molecular Formula
C11H9N5O4S3
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)NC3=NN=C(S3)S(=O)(=O)N)N=CC=C2
InChI
InChI=1S/C11H9N5O4S3/c12-22(17,18)11-15-14-10(21-11)16-23(19,20)8-5-1-3-7-4-2-6-13-9(7)8/h1-6H,(H,14,16)(H2,12,17,18)
InChIKey
FZHGBFVLVKBLAD-UHFFFAOYSA-N
Compound name
5-(quinolin-8-ylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

370.98166 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.98894 181.2
[M+Na]+ 393.97088 192.7
[M-H]- 369.97438 184.4
[M+NH4]+ 389.01548 191.9
[M+K]+ 409.94482 184.5
[M+H-H2O]+ 353.97892 175.3
[M+HCOO]- 415.97986 188.5
[M+CH3COO]- 429.99551 209.8
[M+Na-2H]- 391.95633 189.0
[M]+ 370.98111 184.2
[M]- 370.98221 184.2
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

patents stripe