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]+ 328.129196 174.2
[M+Na]+ 350.111138 183.1
[M-H]- 326.114644 183.1
[M+NH4]+ 345.155743 185.6
[M+K]+ 366.085078 181.0
[M+H-H2O]+ 310.119180 164.0
[M+HCOO]- 372.120121 197.9
[M+CH3COO]- 386.135771 210.1
[M+Na-2H]- 348.096586 178.7
[M]+ 327.12137142 180.6
[M]- 327.12246858 180.6
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.