CID 117464

25384-57-0

Structural Information

Molecular Formula
C18H21NO3
SMILES
CCNC(=O)OCC(CO)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H21NO3/c1-2-19-17(21)22-14-18(13-20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,20H,2,13-14H2,1H3,(H,19,21)
InChIKey
BAMSHZXIILXXOZ-UHFFFAOYSA-N
Compound name
(3-hydroxy-2,2-diphenylpropyl) N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.159406 171.5
[M+Na]+ 322.141348 175.3
[M-H]- 298.144854 176.0
[M+NH4]+ 317.185953 185.0
[M+K]+ 338.115288 171.7
[M+H-H2O]+ 282.149390 163.4
[M+HCOO]- 344.150331 192.3
[M+CH3COO]- 358.165981 201.6
[M+Na-2H]- 320.126796 176.9
[M]+ 299.15158142 171.6
[M]- 299.15267858 171.6
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.