CID 15954158

Diphenyl-methanone o-(5-piperidin-1-yl-[1,3,4]oxadiazol-2-ylmethyl)-oxime

Structural Information

Molecular Formula
C21H22N4O2
SMILES
C1CCN(CC1)C2=NN=C(O2)CON=C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N4O2/c1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)24-26-16-19-22-23-21(27-19)25-14-8-3-9-15-25/h1-2,4-7,10-13H,3,8-9,14-16H2
InChIKey
ISMZGJVWVLGUHR-UHFFFAOYSA-N
Compound name
1,1-diphenyl-N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1743 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18158 184.9
[M+Na]+ 385.16352 188.1
[M-H]- 361.16702 194.1
[M+NH4]+ 380.20812 192.2
[M+K]+ 401.13746 184.3
[M+H-H2O]+ 345.17156 171.8
[M+HCOO]- 407.17250 202.9
[M+CH3COO]- 421.18815 193.3
[M+Na-2H]- 383.14897 187.6
[M]+ 362.17375 182.3
[M]- 362.17485 182.3
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.