CID 55451

Glycine, n-(3-(4-chlorophenyl)-3-oxopropyl)-n-methyl-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C14H18ClNO3
SMILES
CCOC(=O)CN(C)CCC(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H18ClNO3/c1-3-19-14(18)10-16(2)9-8-13(17)11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3
InChIKey
DZWKYGQEKHABJD-UHFFFAOYSA-N
Compound name
ethyl 2-[[3-(4-chlorophenyl)-3-oxopropyl]-methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.09753 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10481 163.9
[M+Na]+ 306.08675 170.2
[M-H]- 282.09025 168.5
[M+NH4]+ 301.13135 180.9
[M+K]+ 322.06069 167.8
[M+H-H2O]+ 266.09479 157.7
[M+HCOO]- 328.09573 183.0
[M+CH3COO]- 342.11138 204.9
[M+Na-2H]- 304.07220 165.5
[M]+ 283.09698 170.3
[M]- 283.09808 170.3
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.