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]+ 242.15395 157.7
[M+Na]+ 264.13589 161.5
[M-H]- 240.13939 161.7
[M+NH4]+ 259.18049 173.2
[M+K]+ 280.10983 157.3
[M+H-H2O]+ 224.14393 150.0
[M+HCOO]- 286.14487 178.5
[M+CH3COO]- 300.16052 193.5
[M+Na-2H]- 262.12134 161.1
[M]+ 241.14612 154.0
[M]- 241.14722 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.