CID 1150787

N-{5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide

Structural Information

Molecular Formula
C16H11FN4O4S
SMILES
C1=CC=C(C(=C1)OCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])F
InChI
InChI=1S/C16H11FN4O4S/c17-12-3-1-2-4-13(12)25-9-14-19-20-16(26-14)18-15(22)10-5-7-11(8-6-10)21(23)24/h1-8H,9H2,(H,18,20,22)
InChIKey
AQDJFSABVGPFCQ-UHFFFAOYSA-N
Compound name
N-[5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0485 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.055776 179.3
[M+Na]+ 397.037718 185.5
[M-H]- 373.041224 186.0
[M+NH4]+ 392.082323 189.0
[M+K]+ 413.011658 176.4
[M+H-H2O]+ 357.045760 173.0
[M+HCOO]- 419.046701 197.9
[M+CH3COO]- 433.062351 208.5
[M+Na-2H]- 395.023166 183.1
[M]+ 374.04795142 179.2
[M]- 374.04904858 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.