CID 10803904

255723-98-9

Structural Information

Molecular Formula
C19H24N2O
SMILES
C1CN(C[C@@H](N1)COCC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H24N2O/c1-3-7-17(8-4-1)13-21-12-11-20-19(14-21)16-22-15-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-/m1/s1
InChIKey
RDGPQHCJHZWORQ-LJQANCHMSA-N
Compound name
(3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

296.18887 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 172.5
[M+Na]+ 319.17809 175.4
[M-H]- 295.18159 176.1
[M+NH4]+ 314.22269 183.1
[M+K]+ 335.15203 169.4
[M+H-H2O]+ 279.18613 161.4
[M+HCOO]- 341.18707 188.0
[M+CH3COO]- 355.20272 180.7
[M+Na-2H]- 317.16354 176.1
[M]+ 296.18832 167.0
[M]- 296.18942 167.0
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

patents stripe