CID 212909

Carbamic acid, isopropyl-, 3-hydroxy-2,2-diphenylpropyl ester

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC(C)NC(=O)OCC(CO)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H23NO3/c1-15(2)20-18(22)23-14-19(13-21,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,21H,13-14H2,1-2H3,(H,20,22)
InChIKey
XGWJVYFOCWYRKX-UHFFFAOYSA-N
Compound name
(3-hydroxy-2,2-diphenylpropyl) N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.175076 176.0
[M+Na]+ 336.157018 179.1
[M-H]- 312.160524 180.4
[M+NH4]+ 331.201623 188.8
[M+K]+ 352.130958 175.9
[M+H-H2O]+ 296.165060 167.9
[M+HCOO]- 358.166001 195.4
[M+CH3COO]- 372.181651 205.5
[M+Na-2H]- 334.142466 179.7
[M]+ 313.16725142 175.9
[M]- 313.16834858 175.9
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

No patent data available for this compound.