CID 4344991

An-806/41205107

Structural Information

Molecular Formula
C18H15FN2O4S
SMILES
C1COC(O1)(CSC2=NN=C(O2)C3=CC=CC=C3O)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H15FN2O4S/c19-13-7-5-12(6-8-13)18(23-9-10-24-18)11-26-17-21-20-16(25-17)14-3-1-2-4-15(14)22/h1-8,22H,9-11H2
InChIKey
NWKQXFMPSLAOJL-UHFFFAOYSA-N
Compound name
2-[5-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.07367 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08095 180.2
[M+Na]+ 397.06289 189.9
[M-H]- 373.06639 191.0
[M+NH4]+ 392.10749 190.9
[M+K]+ 413.03683 188.6
[M+H-H2O]+ 357.07093 172.8
[M+HCOO]- 419.07187 193.6
[M+CH3COO]- 433.08752 191.4
[M+Na-2H]- 395.04834 180.4
[M]+ 374.07312 184.2
[M]- 374.07422 184.2
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

No patent data available for this compound.