CID 1584885

302548-45-4

Structural Information

Molecular Formula
C17H13N3O6S2
SMILES
COC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H13N3O6S2/c1-26-13-6-2-11(3-7-13)16(21)19-17-18-10-15(27-17)28(24,25)14-8-4-12(5-9-14)20(22)23/h2-10H,1H3,(H,18,19,21)
InChIKey
RCKQQVPXCRPOQR-UHFFFAOYSA-N
Compound name
4-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

419.02457 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.03185 193.3
[M+Na]+ 442.01379 198.6
[M-H]- 418.01729 201.8
[M+NH4]+ 437.05839 202.3
[M+K]+ 457.98773 189.2
[M+H-H2O]+ 402.02183 189.1
[M+HCOO]- 464.02277 207.2
[M+CH3COO]- 478.03842 213.2
[M+Na-2H]- 439.99924 198.0
[M]+ 419.02402 194.9
[M]- 419.02512 194.9
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

No patent data available for this compound.