CID 24812126

1008119-83-2

Structural Information

Molecular Formula
C23H26N4O6S2
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)CN3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-])OC
InChI
InChI=1S/C23H26N4O6S2/c1-32-19-10-9-18(14-20(19)33-2)35(30,31)25-23-24-22(16-7-6-8-17(13-16)27(28)29)21(34-23)15-26-11-4-3-5-12-26/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,24,25)
InChIKey
AOZLMMDVJOGGEQ-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N-[4-(3-nitrophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

518.1294 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.13668 209.4
[M+Na]+ 541.11862 220.0
[M+NH4]+ 536.16322 214.2
[M+K]+ 557.09256 215.7
[M-H]- 517.12212 215.6
[M+Na-2H]- 539.10407 216.9
[M]+ 518.12885 213.2
[M]- 518.12995 213.2
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