CID 15954316

Diphenylmethanone o-{[5-(allylamino)-1,3,4-oxadiazol-2-yl]methyl}oxime

Structural Information

Molecular Formula
C19H18N4O2
SMILES
C=CCNC1=NN=C(O1)CON=C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H18N4O2/c1-2-13-20-19-22-21-17(25-19)14-24-23-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,20,22)
InChIKey
YJHSWWYXQOGABW-UHFFFAOYSA-N
Compound name
5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14297 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15025 178.4
[M+Na]+ 357.13219 183.8
[M-H]- 333.13569 187.1
[M+NH4]+ 352.17679 188.9
[M+K]+ 373.10613 180.0
[M+H-H2O]+ 317.14023 167.1
[M+HCOO]- 379.14117 202.9
[M+CH3COO]- 393.15682 214.3
[M+Na-2H]- 355.11764 183.8
[M]+ 334.14242 180.4
[M]- 334.14352 180.4
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.