CID 1631188

302548-37-4

Structural Information

Molecular Formula
C14H9N3O6S2
SMILES
C1=COC(=C1)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H9N3O6S2/c18-13(11-2-1-7-23-11)16-14-15-8-12(24-14)25(21,22)10-5-3-9(4-6-10)17(19)20/h1-8H,(H,15,16,18)
InChIKey
BZFLNEZMNZEFLE-UHFFFAOYSA-N
Compound name
N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

378.9933 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.00058 184.5
[M+Na]+ 401.98252 192.0
[M-H]- 377.98602 195.1
[M+NH4]+ 397.02712 196.0
[M+K]+ 417.95646 184.6
[M+H-H2O]+ 361.99056 182.2
[M+HCOO]- 423.99150 201.2
[M+CH3COO]- 438.00715 203.4
[M+Na-2H]- 399.96797 189.8
[M]+ 378.99275 187.7
[M]- 378.99385 187.7
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