CID 2798037

2-(4-benzylpiperazin-1-yl)benzaldehyde dihydrochloride

Structural Information

Molecular Formula
C18H20N2O
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC=C3C=O
InChI
InChI=1S/C18H20N2O/c21-15-17-8-4-5-9-18(17)20-12-10-19(11-13-20)14-16-6-2-1-3-7-16/h1-9,15H,10-14H2
InChIKey
BDEPGTDKVXMYQP-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperazin-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

280.15756 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 167.6
[M+Na]+ 303.14678 172.7
[M-H]- 279.15028 173.3
[M+NH4]+ 298.19138 179.9
[M+K]+ 319.12072 167.2
[M+H-H2O]+ 263.15482 156.7
[M+HCOO]- 325.15576 185.2
[M+CH3COO]- 339.17141 177.4
[M+Na-2H]- 301.13223 171.4
[M]+ 280.15701 163.4
[M]- 280.15811 163.4
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