CID 356902

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

Structural Information

Molecular Formula
C10H11N3O3
SMILES
COC1=C(C=C(C=C1)C2=NN=C(O2)N)OC
InChI
InChI=1S/C10H11N3O3/c1-14-7-4-3-6(5-8(7)15-2)9-12-13-10(11)16-9/h3-5H,1-2H3,(H2,11,13)
InChIKey
OZWPUJJRZSGNEE-UHFFFAOYSA-N
Compound name
5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

221.08005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.08733 145.6
[M+Na]+ 244.06927 155.7
[M-H]- 220.07277 151.0
[M+NH4]+ 239.11387 161.6
[M+K]+ 260.04321 154.7
[M+H-H2O]+ 204.07731 137.5
[M+HCOO]- 266.07825 169.6
[M+CH3COO]- 280.09390 189.2
[M+Na-2H]- 242.05472 151.2
[M]+ 221.07950 149.5
[M]- 221.08060 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe