CID 481793

(2s)-2,2'-[iminobis(1-hydroxy-2,1-ethanediyl]bis-(1-pyrrolidinecarboxylic acid), bis(1,1-dimethylether) ester

Structural Information

Molecular Formula
C22H41N3O6
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(CNCC([C@@H]2CCCN2C(=O)OC(C)(C)C)O)O
InChI
InChI=1S/C22H41N3O6/c1-21(2,3)30-19(28)24-11-7-9-15(24)17(26)13-23-14-18(27)16-10-8-12-25(16)20(29)31-22(4,5)6/h15-18,23,26-27H,7-14H2,1-6H3/t15-,16-,17?,18?/m0/s1
InChIKey
SIBGCCOZJLCCLS-VYMRPNJYSA-N
Compound name
tert-butyl (2S)-2-[1-hydroxy-2-[[2-hydroxy-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl]amino]ethyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.29953 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.30681 208.7
[M+Na]+ 466.28875 207.0
[M-H]- 442.29225 208.9
[M+NH4]+ 461.33335 216.9
[M+K]+ 482.26269 207.5
[M+H-H2O]+ 426.29679 202.5
[M+HCOO]- 488.29773 216.2
[M+CH3COO]- 502.31338 226.6
[M+Na-2H]- 464.27420 202.4
[M]+ 443.29898 207.3
[M]- 443.30008 207.3
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.