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]+ 286.143776 166.9
[M+Na]+ 308.125718 171.2
[M-H]- 284.129224 171.6
[M+NH4]+ 303.170323 181.0
[M+K]+ 324.099658 167.8
[M+H-H2O]+ 268.133760 159.1
[M+HCOO]- 330.134701 188.1
[M+CH3COO]- 344.150351 198.6
[M+Na-2H]- 306.111166 172.9
[M]+ 285.13595142 166.7
[M]- 285.13704858 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.