CID 3058753

Sifaprazine

Structural Information

Molecular Formula
C18H22N2
SMILES
CN1CCN(CC1)C2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2/c1-19-11-13-20(14-12-19)18-10-6-5-9-17(18)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKey
SDJWUEKTZZQYLK-UHFFFAOYSA-N
Compound name
1-(2-benzylphenyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

266.17828 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 165.3
[M+Na]+ 289.16750 170.2
[M-H]- 265.17100 170.9
[M+NH4]+ 284.21210 178.3
[M+K]+ 305.14144 164.7
[M+H-H2O]+ 249.17554 154.5
[M+HCOO]- 311.17648 182.5
[M+CH3COO]- 325.19213 175.1
[M+Na-2H]- 287.15295 169.1
[M]+ 266.17773 160.3
[M]- 266.17883 160.3
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

No patent data available for this compound.