CID 54403

Beta-alanine, n-benzoyl-n-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate

Structural Information

Molecular Formula
C20H23ClN2O3
SMILES
CN(C)CCOC(=O)CCN(C1=CC(=CC=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H23ClN2O3/c1-22(2)13-14-26-19(24)11-12-23(18-10-6-9-17(21)15-18)20(25)16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3
InChIKey
JHKIXZQWDREUPF-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 3-(N-benzoyl-3-chloroanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1397 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14698 190.1
[M+Na]+ 397.12892 194.3
[M-H]- 373.13242 198.6
[M+NH4]+ 392.17352 203.1
[M+K]+ 413.10286 191.6
[M+H-H2O]+ 357.13696 181.3
[M+HCOO]- 419.13790 210.1
[M+CH3COO]- 433.15355 226.1
[M+Na-2H]- 395.11437 190.7
[M]+ 374.13915 196.7
[M]- 374.14025 196.7
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.