CID 76046511

3-(2-fluorophenyl)-1-(2-morpholin-2-ylethyl)-2lambda6,1,3-benzothiadiazole 2,2-dioxide

Structural Information

Molecular Formula
C18H20FN3O3S
SMILES
C1COC(CN1)CCN2C3=CC=CC=C3N(S2(=O)=O)C4=CC=CC=C4F
InChI
InChI=1S/C18H20FN3O3S/c19-15-5-1-2-6-16(15)22-18-8-4-3-7-17(18)21(26(22,23)24)11-9-14-13-20-10-12-25-14/h1-8,14,20H,9-13H2
InChIKey
UIKJCHWTULEUKX-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)-1-(2-morpholin-2-ylethyl)-2lambda6,1,3-benzothiadiazole 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

377.12094 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.128216 184.7
[M+Na]+ 400.110158 193.4
[M-H]- 376.113664 189.2
[M+NH4]+ 395.154763 195.7
[M+K]+ 416.084098 187.7
[M+H-H2O]+ 360.118200 174.8
[M+HCOO]- 422.119141 192.9
[M+CH3COO]- 436.134791 193.4
[M+Na-2H]- 398.095606 184.7
[M]+ 377.12039142 183.2
[M]- 377.12148858 183.2
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