CID 3087339

1-benzhydryl-4-cyclopropylmethyl-piperazine dihydrochloride

Structural Information

Molecular Formula
C21H26N2
SMILES
C1CC1CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H26N2/c1-3-7-19(8-4-1)21(20-9-5-2-6-10-20)23-15-13-22(14-16-23)17-18-11-12-18/h1-10,18,21H,11-17H2
InChIKey
HBVDSTOWEIRMNM-UHFFFAOYSA-N
Compound name
1-benzhydryl-4-(cyclopropylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

306.2096 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 176.0
[M+Na]+ 329.19882 180.2
[M-H]- 305.20232 184.1
[M+NH4]+ 324.24342 182.2
[M+K]+ 345.17276 174.7
[M+H-H2O]+ 289.20686 164.6
[M+HCOO]- 351.20780 192.4
[M+CH3COO]- 365.22345 184.1
[M+Na-2H]- 327.18427 178.0
[M]+ 306.20905 171.9
[M]- 306.21015 171.9
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