CID 66351626

3-amino-2-benzyl-3-phenylpropan-1-ol

Structural Information

Molecular Formula
C16H19NO
SMILES
C1=CC=C(C=C1)CC(CO)C(C2=CC=CC=C2)N
InChI
InChI=1S/C16H19NO/c17-16(14-9-5-2-6-10-14)15(12-18)11-13-7-3-1-4-8-13/h1-10,15-16,18H,11-12,17H2
InChIKey
ICQKDZDZTLESGV-UHFFFAOYSA-N
Compound name
3-amino-2-benzyl-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.153946 157.7
[M+Na]+ 264.135888 161.5
[M-H]- 240.139394 161.7
[M+NH4]+ 259.180493 173.2
[M+K]+ 280.109828 157.3
[M+H-H2O]+ 224.143930 150.0
[M+HCOO]- 286.144871 178.5
[M+CH3COO]- 300.160521 193.5
[M+Na-2H]- 262.121336 161.1
[M]+ 241.14612142 154.0
[M]- 241.14721858 154.0
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.