CID 15954154

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

Structural Information

Molecular Formula
C16H14N4O2
SMILES
C1=CC=C(C=C1)C(=NOCC2=NN=C(O2)N)C3=CC=CC=C3
InChI
InChI=1S/C16H14N4O2/c17-16-19-18-14(22-16)11-21-20-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,17,19)
InChIKey
OIBPRIVMYPKJQE-UHFFFAOYSA-N
Compound name
5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.11166 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11894 165.8
[M+Na]+ 317.10088 172.3
[M-H]- 293.10438 174.6
[M+NH4]+ 312.14548 177.8
[M+K]+ 333.07482 169.5
[M+H-H2O]+ 277.10892 155.1
[M+HCOO]- 339.10986 190.6
[M+CH3COO]- 353.12551 177.3
[M+Na-2H]- 315.08633 171.9
[M]+ 294.11111 166.6
[M]- 294.11221 166.6
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.