CID 3042482

Maleate de n-(p-chlorobenzyl)pyroglutamate de dimethylaminoethyle [french]

Structural Information

Molecular Formula
C16H21ClN2O3
SMILES
CN(C)CCOC(=O)[C@@H]1CCC(=O)N1CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H21ClN2O3/c1-18(2)9-10-22-16(21)14-7-8-15(20)19(14)11-12-3-5-13(17)6-4-12/h3-6,14H,7-11H2,1-2H3/t14-/m0/s1
InChIKey
ZTFWBKLZGXUNIW-AWEZNQCLSA-N
Compound name
2-(dimethylamino)ethyl (2S)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12408 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13136 175.9
[M+Na]+ 347.11330 182.4
[M-H]- 323.11680 182.2
[M+NH4]+ 342.15790 191.7
[M+K]+ 363.08724 179.0
[M+H-H2O]+ 307.12134 168.2
[M+HCOO]- 369.12228 193.1
[M+CH3COO]- 383.13793 211.3
[M+Na-2H]- 345.09875 174.5
[M]+ 324.12353 180.1
[M]- 324.12463 180.1
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.