CID 13051020

79099-03-9

Structural Information

Molecular Formula
C19H25N3
SMILES
C1CN(CCC1NCC2=CC=CC=C2N)CC3=CC=CC=C3
InChI
InChI=1S/C19H25N3/c20-19-9-5-4-8-17(19)14-21-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,18,21H,10-15,20H2
InChIKey
LKCLUVMTZWCXTC-UHFFFAOYSA-N
Compound name
N-[(2-aminophenyl)methyl]-1-benzylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

295.20483 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.21211 171.0
[M+Na]+ 318.19405 173.9
[M-H]- 294.19755 177.4
[M+NH4]+ 313.23865 183.3
[M+K]+ 334.16799 167.9
[M+H-H2O]+ 278.20209 160.6
[M+HCOO]- 340.20303 190.8
[M+CH3COO]- 354.21868 180.0
[M+Na-2H]- 316.17950 174.5
[M]+ 295.20428 163.8
[M]- 295.20538 163.8
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