CID 3067250

1,3,4-oxadiazol-2-amine, n-phenyl-5-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C17H17N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)NC3=CC=CC=C3
InChI
InChI=1S/C17H17N3O4/c1-21-13-9-11(10-14(22-2)15(13)23-3)16-19-20-17(24-16)18-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,18,20)
InChIKey
FRLCKRUZSFDPBC-UHFFFAOYSA-N
Compound name
N-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.12192 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12920 176.0
[M+Na]+ 350.11114 190.4
[M+NH4]+ 345.15574 182.3
[M+K]+ 366.08508 186.1
[M-H]- 326.11464 182.0
[M+Na-2H]- 348.09659 184.5
[M]+ 327.12137 179.7
[M]- 327.12247 179.7
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.