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]+ 294.144816 166.5
[M+Na]+ 316.126758 175.4
[M-H]- 292.130264 172.1
[M+NH4]+ 311.171363 180.0
[M+K]+ 332.100698 174.5
[M+H-H2O]+ 276.134800 157.6
[M+HCOO]- 338.135741 189.9
[M+CH3COO]- 352.151391 205.2
[M+Na-2H]- 314.112206 170.4
[M]+ 293.13699142 174.5
[M]- 293.13808858 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.