CID 165123455

Tert-butyl n-[2-(2,5-dimethoxyphenyl)ethyl]carbamate

Structural Information

Molecular Formula
C15H23NO4
SMILES
CC(C)(C)OC(=O)NCCC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C15H23NO4/c1-15(2,3)20-14(17)16-9-8-11-10-12(18-4)6-7-13(11)19-5/h6-7,10H,8-9H2,1-5H3,(H,16,17)
InChIKey
COMRZXRRULFHME-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2,5-dimethoxyphenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

281.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.169996 166.7
[M+Na]+ 304.151938 172.9
[M-H]- 280.155444 170.3
[M+NH4]+ 299.196543 182.9
[M+K]+ 320.125878 172.2
[M+H-H2O]+ 264.159980 160.1
[M+HCOO]- 326.160921 188.8
[M+CH3COO]- 340.176571 203.2
[M+Na-2H]- 302.137386 170.3
[M]+ 281.16217142 172.5
[M]- 281.16326858 172.5
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

patents stripe