CID 3056162

1,3,4-oxadiazol-2(3h)-one, 3-(4-morpholinylmethyl)-5-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C16H21N3O6
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN(C(=O)O2)CN3CCOCC3
InChI
InChI=1S/C16H21N3O6/c1-21-12-8-11(9-13(22-2)14(12)23-3)15-17-19(16(20)25-15)10-18-4-6-24-7-5-18/h8-9H,4-7,10H2,1-3H3
InChIKey
FMECSMNYGJCBID-UHFFFAOYSA-N
Compound name
3-(morpholin-4-ylmethyl)-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

351.14304 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15032 179.8
[M+Na]+ 374.13226 187.8
[M-H]- 350.13576 187.2
[M+NH4]+ 369.17686 187.6
[M+K]+ 390.10620 187.8
[M+H-H2O]+ 334.14030 169.5
[M+HCOO]- 396.14124 196.5
[M+CH3COO]- 410.15689 211.4
[M+Na-2H]- 372.11771 180.9
[M]+ 351.14249 185.8
[M]- 351.14359 185.8
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.