CID 3056160

73484-44-3

Structural Information

Molecular Formula
C18H18FN3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN(C(=O)O2)CNC3=CC=C(C=C3)F
InChI
InChI=1S/C18H18FN3O5/c1-24-14-8-11(9-15(25-2)16(14)26-3)17-21-22(18(23)27-17)10-20-13-6-4-12(19)5-7-13/h4-9,20H,10H2,1-3H3
InChIKey
YBGFMBXWEDJTPR-UHFFFAOYSA-N
Compound name
3-[(4-fluoroanilino)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.12305 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.13033 184.9
[M+Na]+ 398.11227 195.1
[M-H]- 374.11577 193.0
[M+NH4]+ 393.15687 194.6
[M+K]+ 414.08621 192.4
[M+H-H2O]+ 358.12031 173.8
[M+HCOO]- 420.12125 207.3
[M+CH3COO]- 434.13690 219.9
[M+Na-2H]- 396.09772 186.8
[M]+ 375.12250 192.1
[M]- 375.12360 192.1
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.