CID 52361

73747-40-7

Structural Information

Molecular Formula
C17H19NO3
SMILES
C1=CC=C(C=C1)CC(CO)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H19NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)
InChIKey
WPOFMMJJCPZPAO-UHFFFAOYSA-N
Compound name
benzyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

285.1365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 167.3
[M+Na]+ 308.12572 170.9
[M-H]- 284.12922 171.8
[M+NH4]+ 303.17032 181.2
[M+K]+ 324.09966 167.5
[M+H-H2O]+ 268.13376 159.0
[M+HCOO]- 330.13470 189.0
[M+CH3COO]- 344.15035 199.1
[M+Na-2H]- 306.11117 171.2
[M]+ 285.13595 166.9
[M]- 285.13705 166.9
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

patents stripe