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]+ 282.133576 164.2
[M+Na]+ 304.115518 169.1
[M-H]- 280.119024 167.4
[M+NH4]+ 299.160123 179.6
[M+K]+ 320.089458 169.1
[M+H-H2O]+ 264.123560 156.8
[M+HCOO]- 326.124501 186.7
[M+CH3COO]- 340.140151 202.3
[M+Na-2H]- 302.100966 165.8
[M]+ 281.12575142 169.3
[M]- 281.12684858 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.