CID 15954172

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

Structural Information

Molecular Formula
C23H20N4O2
SMILES
C1=CC=C(C=C1)CNC2=NN=C(O2)CON=C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H20N4O2/c1-4-10-18(11-5-1)16-24-23-26-25-21(29-23)17-28-27-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,24,26)
InChIKey
NXKXHLHYAKFURS-UHFFFAOYSA-N
Compound name
5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.15863 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16591 189.8
[M+Na]+ 407.14785 194.2
[M-H]- 383.15135 201.1
[M+NH4]+ 402.19245 197.4
[M+K]+ 423.12179 189.7
[M+H-H2O]+ 367.15589 177.1
[M+HCOO]- 429.15683 213.7
[M+CH3COO]- 443.17248 199.1
[M+Na-2H]- 405.13330 195.4
[M]+ 384.15808 191.0
[M]- 384.15918 191.0
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.