CID 70048

1-benzhydrylpiperazine

Structural Information

Molecular Formula
C17H20N2
SMILES
C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2
InChIKey
NWVNXDKZIQLBNM-UHFFFAOYSA-N
Compound name
1-benzhydrylpiperazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

36
References

2724
Patents

252.16264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 160.1
[M+Na]+ 275.15186 162.8
[M-H]- 251.15536 163.9
[M+NH4]+ 270.19646 172.2
[M+K]+ 291.12580 157.1
[M+H-H2O]+ 235.15990 149.7
[M+HCOO]- 297.16084 175.2
[M+CH3COO]- 311.17649 168.9
[M+Na-2H]- 273.13731 164.5
[M]+ 252.16209 151.6
[M]- 252.16319 151.6
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