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]+ 266.113536 157.3
[M+Na]+ 288.095478 167.2
[M-H]- 264.098984 163.3
[M+NH4]+ 283.140083 171.9
[M+K]+ 304.069418 166.7
[M+H-H2O]+ 248.103520 148.8
[M+HCOO]- 310.104461 181.4
[M+CH3COO]- 324.120111 199.2
[M+Na-2H]- 286.080926 162.3
[M]+ 265.10571142 164.6
[M]- 265.10680858 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.