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 164.2
[M+Na]+ 304.11552 169.1
[M-H]- 280.11902 167.4
[M+NH4]+ 299.16012 179.6
[M+K]+ 320.08946 169.1
[M+H-H2O]+ 264.12356 156.8
[M+HCOO]- 326.12450 186.7
[M+CH3COO]- 340.14015 202.3
[M+Na-2H]- 302.10097 165.8
[M]+ 281.12575 169.3
[M]- 281.12685 169.3
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.