CID 11744001

Suvn-504

Structural Information

Molecular Formula
C18H18BrFN2O3S
SMILES
CN(C)CCOC1=CN(C2=C1C=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H18BrFN2O3S/c1-21(2)9-10-25-18-12-22(17-8-3-13(19)11-16(17)18)26(23,24)15-6-4-14(20)5-7-15/h3-8,11-12H,9-10H2,1-2H3
InChIKey
GTFCQLBBMSYCFM-UHFFFAOYSA-N
Compound name
2-[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

440.02054 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.02782 187.5
[M+Na]+ 463.00976 200.8
[M-H]- 439.01326 197.3
[M+NH4]+ 458.05436 203.7
[M+K]+ 478.98370 188.7
[M+H-H2O]+ 423.01780 185.3
[M+HCOO]- 485.01874 203.8
[M+CH3COO]- 499.03439 225.3
[M+Na-2H]- 460.99521 191.3
[M]+ 440.01999 213.3
[M]- 440.02109 213.3
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