CID 155821618

1286711-12-3

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCOC(=O)CNCCC1=CC=C(C=C1)OC(C)(C)C
InChI
InChI=1S/C16H25NO3/c1-5-19-15(18)12-17-11-10-13-6-8-14(9-7-13)20-16(2,3)4/h6-9,17H,5,10-12H2,1-4H3
InChIKey
XPEVIVWQGICUJJ-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 168.8
[M+Na]+ 302.17266 173.7
[M-H]- 278.17616 171.8
[M+NH4]+ 297.21726 184.8
[M+K]+ 318.14660 172.1
[M+H-H2O]+ 262.18070 162.0
[M+HCOO]- 324.18164 190.4
[M+CH3COO]- 338.19729 203.5
[M+Na-2H]- 300.15811 172.5
[M]+ 279.18289 173.3
[M]- 279.18399 173.3
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.