CID 3049488

Glycine, n-(3-(4-(3-methylbutoxy)phenyl)-3-oxopropyl)-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C18H27NO4
SMILES
CCOC(=O)CNCCC(=O)C1=CC=C(C=C1)OCCC(C)C
InChI
InChI=1S/C18H27NO4/c1-4-22-18(21)13-19-11-9-17(20)15-5-7-16(8-6-15)23-12-10-14(2)3/h5-8,14,19H,4,9-13H2,1-3H3
InChIKey
KLJIUVQBHWFUOG-UHFFFAOYSA-N
Compound name
ethyl 2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxopropyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.194 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.201276 180.0
[M+Na]+ 344.183218 183.2
[M-H]- 320.186724 182.4
[M+NH4]+ 339.227823 193.7
[M+K]+ 360.157158 181.6
[M+H-H2O]+ 304.191260 172.1
[M+HCOO]- 366.192201 200.8
[M+CH3COO]- 380.207851 212.7
[M+Na-2H]- 342.168666 179.3
[M]+ 321.19345142 185.2
[M]- 321.19454858 185.2
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.