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

74
Patents

295.20483 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.212106 171.0
[M+Na]+ 318.194048 173.9
[M-H]- 294.197554 177.4
[M+NH4]+ 313.238653 183.3
[M+K]+ 334.167988 167.9
[M+H-H2O]+ 278.202090 160.6
[M+HCOO]- 340.203031 190.8
[M+CH3COO]- 354.218681 180.0
[M+Na-2H]- 316.179496 174.5
[M]+ 295.20428142 163.8
[M]- 295.20537858 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