CID 28848

Upjohn u-18120

Structural Information

Molecular Formula
C14H19NO5
SMILES
CC(C)OC1=CC=CC=C1OC(=O)NCC(=O)COC
InChI
InChI=1S/C14H19NO5/c1-10(2)19-12-6-4-5-7-13(12)20-14(17)15-8-11(16)9-18-3/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKey
ANLFXSZRALURDN-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-(3-methoxy-2-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1263 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13358 164.3
[M+Na]+ 304.11552 172.9
[M+NH4]+ 299.16012 169.3
[M+K]+ 320.08946 169.3
[M-H]- 280.11902 164.0
[M+Na-2H]- 302.10097 167.6
[M]+ 281.12575 165.0
[M]- 281.12685 165.0
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.