CID 117463

2,2-diphenyl-1,3-propanediol methylcarbamate

Structural Information

Molecular Formula
C17H19NO3
SMILES
CNC(=O)OCC(CO)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H19NO3/c1-18-16(20)21-13-17(12-19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,19H,12-13H2,1H3,(H,18,20)
InChIKey
NSFWQVLIKNSZQT-UHFFFAOYSA-N
Compound name
(3-hydroxy-2,2-diphenylpropyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1365 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 166.9
[M+Na]+ 308.12572 171.2
[M-H]- 284.12922 171.6
[M+NH4]+ 303.17032 181.0
[M+K]+ 324.09966 167.8
[M+H-H2O]+ 268.13376 159.1
[M+HCOO]- 330.13470 188.1
[M+CH3COO]- 344.15035 198.6
[M+Na-2H]- 306.11117 172.9
[M]+ 285.13595 166.7
[M]- 285.13705 166.7
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.