CID 3068788

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

Structural Information

Molecular Formula
C14H19N3O4
SMILES
CCCNC1=NN=C(O1)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C14H19N3O4/c1-5-6-15-14-17-16-13(21-14)9-7-10(18-2)12(20-4)11(8-9)19-3/h7-8H,5-6H2,1-4H3,(H,15,17)
InChIKey
CTTNVTBSOIWYPP-UHFFFAOYSA-N
Compound name
N-propyl-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

293.13754 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14482 166.5
[M+Na]+ 316.12676 175.4
[M-H]- 292.13026 172.1
[M+NH4]+ 311.17136 180.0
[M+K]+ 332.10070 174.5
[M+H-H2O]+ 276.13480 157.6
[M+HCOO]- 338.13574 189.9
[M+CH3COO]- 352.15139 205.2
[M+Na-2H]- 314.11221 170.4
[M]+ 293.13699 174.5
[M]- 293.13809 174.5
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.