CID 6100743

L-alanine, n-benzoyl-n-(4-ethoxyphenyl)-, 2-(diethylamino)ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C24H32N2O4
SMILES
CCN(CC)CCOC(=O)[C@H](C)N(C1=CC=C(C=C1)OCC)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C24H32N2O4/c1-5-25(6-2)17-18-30-24(28)19(4)26(23(27)20-11-9-8-10-12-20)21-13-15-22(16-14-21)29-7-3/h8-16,19H,5-7,17-18H2,1-4H3/t19-/m0/s1
InChIKey
IVXFVLAPRUCYBK-IBGZPJMESA-N
Compound name
2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.2362 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24348 204.9
[M+Na]+ 435.22542 205.9
[M-H]- 411.22892 212.6
[M+NH4]+ 430.27002 215.1
[M+K]+ 451.19936 205.6
[M+H-H2O]+ 395.23346 194.4
[M+HCOO]- 457.23440 227.0
[M+CH3COO]- 471.25005 237.3
[M+Na-2H]- 433.21087 202.7
[M]+ 412.23565 211.1
[M]- 412.23675 211.1
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.