CID 29319

Bs-40

Structural Information

Molecular Formula
C18H23NO
SMILES
CC(CNC(C)C(C1=CC=CC=C1)O)C2=CC=CC=C2
InChI
InChI=1S/C18H23NO/c1-14(16-9-5-3-6-10-16)13-19-15(2)18(20)17-11-7-4-8-12-17/h3-12,14-15,18-20H,13H2,1-2H3
InChIKey
ISFJUZHZWKSUFJ-UHFFFAOYSA-N
Compound name
1-phenyl-2-(2-phenylpropylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.185256 166.6
[M+Na]+ 292.167198 169.2
[M-H]- 268.170704 170.8
[M+NH4]+ 287.211803 181.1
[M+K]+ 308.141138 165.5
[M+H-H2O]+ 252.175240 158.6
[M+HCOO]- 314.176181 186.3
[M+CH3COO]- 328.191831 201.0
[M+Na-2H]- 290.152646 168.7
[M]+ 269.17743142 164.0
[M]- 269.17852858 164.0
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.