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

7
Patents

281.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 166.7
[M+Na]+ 304.15194 172.9
[M-H]- 280.15544 170.3
[M+NH4]+ 299.19654 182.9
[M+K]+ 320.12588 172.2
[M+H-H2O]+ 264.15998 160.1
[M+HCOO]- 326.16092 188.8
[M+CH3COO]- 340.17657 203.2
[M+Na-2H]- 302.13739 170.3
[M]+ 281.16217 172.5
[M]- 281.16327 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