CID 15953925

5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C17H16N4O2
SMILES
C1=CC=C(C=C1)C(=NOCCC2=NN=C(O2)N)C3=CC=CC=C3
InChI
InChI=1S/C17H16N4O2/c18-17-20-19-15(23-17)11-12-22-21-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,18,20)
InChIKey
YMLOSSZTMZVEGE-UHFFFAOYSA-N
Compound name
5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12732 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 170.3
[M+Na]+ 331.11654 176.3
[M-H]- 307.12004 178.9
[M+NH4]+ 326.16114 181.7
[M+K]+ 347.09048 173.3
[M+H-H2O]+ 291.12458 159.4
[M+HCOO]- 353.12552 194.7
[M+CH3COO]- 367.14117 181.3
[M+Na-2H]- 329.10199 175.8
[M]+ 308.12677 171.4
[M]- 308.12787 171.4
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.