CID 382363

Nsc669833

Structural Information

Molecular Formula
C16H17N3O3
SMILES
CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C16H17N3O3/c1-19-16(12-4-5-13(20-2)14(10-12)21-3)22-15(18-19)11-6-8-17-9-7-11/h4-10,16H,1-3H3
InChIKey
UGOAZFTURQHSCA-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-3-methyl-5-pyridin-4-yl-2H-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.12698 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 169.0
[M+Na]+ 322.11620 178.5
[M-H]- 298.11970 176.2
[M+NH4]+ 317.16080 180.5
[M+K]+ 338.09014 175.8
[M+H-H2O]+ 282.12424 158.7
[M+HCOO]- 344.12518 188.9
[M+CH3COO]- 358.14083 180.8
[M+Na-2H]- 320.10165 172.0
[M]+ 299.12643 173.3
[M]- 299.12753 173.3
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.