CID 3067249

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

Structural Information

Molecular Formula
C12H15N3O4
SMILES
CNC1=NN=C(O1)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C12H15N3O4/c1-13-12-15-14-11(19-12)7-5-8(16-2)10(18-4)9(6-7)17-3/h5-6H,1-4H3,(H,13,15)
InChIKey
YOKDWSCAAFBGRH-UHFFFAOYSA-N
Compound name
N-methyl-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

265.10626 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11354 157.3
[M+Na]+ 288.09548 167.2
[M-H]- 264.09898 163.3
[M+NH4]+ 283.14008 171.9
[M+K]+ 304.06942 166.7
[M+H-H2O]+ 248.10352 148.8
[M+HCOO]- 310.10446 181.4
[M+CH3COO]- 324.12011 199.2
[M+Na-2H]- 286.08093 162.3
[M]+ 265.10571 164.6
[M]- 265.10681 164.6
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.