CID 86278347

Ropeginterferon alfa-2b

Structural Information

Molecular Formula
C20H37N3O8
SMILES
COCCOC(=O)NCCCCC(CCN1CCC[C@H]1C(=O)O)NC(=O)OCCOC
InChI
InChI=1S/C20H37N3O8/c1-28-12-14-30-19(26)21-9-4-3-6-16(22-20(27)31-15-13-29-2)8-11-23-10-5-7-17(23)18(24)25/h16-17H,3-15H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)/t16?,17-/m0/s1
InChIKey
LICFWYDUJZDCLK-DJNXLDHESA-N
Compound name
(2S)-1-[3,7-bis(2-methoxyethoxycarbonylamino)heptyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

540
Patents

447.25806 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.26534 205.6
[M+Na]+ 470.24728 203.5
[M-H]- 446.25078 204.0
[M+NH4]+ 465.29188 225.2
[M+K]+ 486.22122 204.3
[M+H-H2O]+ 430.25532 196.4
[M+HCOO]- 492.25626 226.8
[M+CH3COO]- 506.27191 231.5
[M+Na-2H]- 468.23273 200.6
[M]+ 447.25751 211.2
[M]- 447.25861 211.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe