CID 121150

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

Structural Information

Molecular Formula
C11H13N3O4
SMILES
COC1=C(C(=C(C=C1)C2=NN=C(O2)N)OC)OC
InChI
InChI=1S/C11H13N3O4/c1-15-7-5-4-6(8(16-2)9(7)17-3)10-13-14-11(12)18-10/h4-5H,1-3H3,(H2,12,14)
InChIKey
KGRAGXXFDKYPBV-UHFFFAOYSA-N
Compound name
5-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

251.0906 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09788 153.2
[M+Na]+ 274.07982 163.5
[M-H]- 250.08332 158.8
[M+NH4]+ 269.12442 168.1
[M+K]+ 290.05376 162.9
[M+H-H2O]+ 234.08786 144.9
[M+HCOO]- 296.08880 177.0
[M+CH3COO]- 310.10445 195.7
[M+Na-2H]- 272.06527 157.6
[M]+ 251.09005 159.2
[M]- 251.09115 159.2
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

patents stripe