CID 15954169

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

Structural Information

Molecular Formula
C22H18N4O2
SMILES
C1=CC=C(C=C1)C(=NOCC2=NN=C(O2)NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H18N4O2/c1-4-10-17(11-5-1)21(18-12-6-2-7-13-18)26-27-16-20-24-25-22(28-20)23-19-14-8-3-9-15-19/h1-15H,16H2,(H,23,25)
InChIKey
LARFBKXVPRTBGD-UHFFFAOYSA-N
Compound name
5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14297 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15025 185.4
[M+Na]+ 393.13219 190.4
[M-H]- 369.13569 197.0
[M+NH4]+ 388.17679 193.7
[M+K]+ 409.10613 186.0
[M+H-H2O]+ 353.14023 173.0
[M+HCOO]- 415.14117 209.7
[M+CH3COO]- 429.15682 195.2
[M+Na-2H]- 391.11764 191.6
[M]+ 370.14242 186.3
[M]- 370.14352 186.3
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.