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]+ 300.15941 171.5
[M+Na]+ 322.14135 175.3
[M-H]- 298.14485 176.0
[M+NH4]+ 317.18595 185.0
[M+K]+ 338.11529 171.7
[M+H-H2O]+ 282.14939 163.4
[M+HCOO]- 344.15033 192.3
[M+CH3COO]- 358.16598 201.6
[M+Na-2H]- 320.12680 176.9
[M]+ 299.15158 171.6
[M]- 299.15268 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.