CID 92136018

Amyloid p-in-1

Structural Information

Molecular Formula
C30H44N2O14
SMILES
C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)OCOC(=O)OC3CCOCC3)C(=O)OCOC(=O)OC4CCOCC4
InChI
InChI=1S/C30H44N2O14/c33-25(31-13-3-5-23(31)27(35)41-19-43-29(37)45-21-9-15-39-16-10-21)7-1-2-8-26(34)32-14-4-6-24(32)28(36)42-20-44-30(38)46-22-11-17-40-18-12-22/h21-24H,1-20H2/t23-,24-/m1/s1
InChIKey
KSKLDMGKWDUQCT-DNQXCXABSA-N
Compound name
oxan-4-yloxycarbonyloxymethyl (2R)-1-[6-[(2R)-2-(oxan-4-yloxycarbonyloxymethoxycarbonyl)pyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

656.27924 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 657.28652 236.6
[M+Na]+ 679.26846 233.9
[M+NH4]+ 674.31306 233.3
[M+K]+ 695.24240 241.5
[M-H]- 655.27196 235.5
[M+Na-2H]- 677.25391 231.2
[M]+ 656.27869 234.3
[M]- 656.27979 234.3
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

patents stripe