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]+ 270.18526 166.6
[M+Na]+ 292.16720 169.2
[M-H]- 268.17070 170.8
[M+NH4]+ 287.21180 181.1
[M+K]+ 308.14114 165.5
[M+H-H2O]+ 252.17524 158.6
[M+HCOO]- 314.17618 186.3
[M+CH3COO]- 328.19183 201.0
[M+Na-2H]- 290.15265 168.7
[M]+ 269.17743 164.0
[M]- 269.17853 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.