CID 10825673

(s)-1,3-dibenzylpiperazine

Structural Information

Molecular Formula
C18H22N2
SMILES
C1CN(C[C@@H](N1)CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2/c1-3-7-16(8-4-1)13-18-15-20(12-11-19-18)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2/t18-/m0/s1
InChIKey
AJNDRRBUHVZNKU-SFHVURJKSA-N
Compound name
(3S)-1,3-dibenzylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

266.17828 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.185556 164.9
[M+Na]+ 289.167498 168.4
[M-H]- 265.171004 168.8
[M+NH4]+ 284.212103 176.9
[M+K]+ 305.141438 162.0
[M+H-H2O]+ 249.175540 154.3
[M+HCOO]- 311.176481 180.7
[M+CH3COO]- 325.192131 173.7
[M+Na-2H]- 287.152946 169.1
[M]+ 266.17773142 157.7
[M]- 266.17882858 157.7
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