CID 205354

Brn 3969127

Structural Information

Molecular Formula
C16H18ClNO
SMILES
C1=CC=C(C=C1)CC(CO)NCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H18ClNO/c17-15-8-6-14(7-9-15)11-18-16(12-19)10-13-4-2-1-3-5-13/h1-9,16,18-19H,10-12H2
InChIKey
OGDUONDWPSSWNF-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methylamino]-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1077 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11498 164.4
[M+Na]+ 298.09692 178.6
[M+NH4]+ 293.14152 173.4
[M+K]+ 314.07086 169.5
[M-H]- 274.10042 169.6
[M+Na-2H]- 296.08237 173.6
[M]+ 275.10715 168.2
[M]- 275.10825 168.2
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.