CID 394068

Nsc697186

Structural Information

Molecular Formula
C14H24N6O2
SMILES
CNC1=NN=C(O1)CCCCCCCCC2=NN=C(O2)NC
InChI
InChI=1S/C14H24N6O2/c1-15-13-19-17-11(21-13)9-7-5-3-4-6-8-10-12-18-20-14(16-2)22-12/h3-10H2,1-2H3,(H,15,19)(H,16,20)
InChIKey
OAJANXSNPYVORD-UHFFFAOYSA-N
Compound name
N-methyl-5-[8-[5-(methylamino)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.19608 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.20336 173.0
[M+Na]+ 331.18530 180.1
[M-H]- 307.18880 176.1
[M+NH4]+ 326.22990 182.8
[M+K]+ 347.15924 178.7
[M+H-H2O]+ 291.19334 162.4
[M+HCOO]- 353.19428 195.3
[M+CH3COO]- 367.20993 209.3
[M+Na-2H]- 329.17075 177.0
[M]+ 308.19553 180.2
[M]- 308.19663 180.2
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.