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 174.2
[M+Na]+ 350.11114 183.1
[M-H]- 326.11464 183.1
[M+NH4]+ 345.15574 185.6
[M+K]+ 366.08508 181.0
[M+H-H2O]+ 310.11918 164.0
[M+HCOO]- 372.12012 197.9
[M+CH3COO]- 386.13577 210.1
[M+Na-2H]- 348.09659 178.7
[M]+ 327.12137 180.6
[M]- 327.12247 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.