CID 120508

Prenoxdiazine

Structural Information

Molecular Formula
C23H27N3O
SMILES
C1CCN(CC1)CCC2=NC(=NO2)CC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3O/c1-4-10-19(11-5-1)21(20-12-6-2-7-13-20)18-22-24-23(27-25-22)14-17-26-15-8-3-9-16-26/h1-2,4-7,10-13,21H,3,8-9,14-18H2
InChIKey
PXZDWASDNFWKSD-UHFFFAOYSA-N
Compound name
3-(2,2-diphenylethyl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

502
Patents

361.21542 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 188.6
[M+Na]+ 384.20464 191.2
[M-H]- 360.20814 195.9
[M+NH4]+ 379.24924 195.7
[M+K]+ 400.17858 186.0
[M+H-H2O]+ 344.21268 175.7
[M+HCOO]- 406.21362 203.0
[M+CH3COO]- 420.22927 196.1
[M+Na-2H]- 382.19009 188.9
[M]+ 361.21487 184.8
[M]- 361.21597 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe