CID 209452

19881-90-4

Structural Information

Molecular Formula
C16H19NO
SMILES
C1=CC=C(C=C1)CC(CO)NCC2=CC=CC=C2
InChI
InChI=1S/C16H19NO/c18-13-16(11-14-7-3-1-4-8-14)17-12-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2
InChIKey
LHXDBXYWIPUULZ-UHFFFAOYSA-N
Compound name
2-(benzylamino)-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.153946 156.5
[M+Na]+ 264.135888 160.6
[M-H]- 240.139394 161.0
[M+NH4]+ 259.180493 172.4
[M+K]+ 280.109828 156.2
[M+H-H2O]+ 224.143930 148.7
[M+HCOO]- 286.144871 179.0
[M+CH3COO]- 300.160521 193.2
[M+Na-2H]- 262.121336 162.2
[M]+ 241.14612142 154.5
[M]- 241.14721858 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe