CID 51340947

Mal-amido-peg12-nhs

Structural Information

Molecular Formula
C38H63N3O19
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C38H63N3O19/c42-33(5-8-40-34(43)1-2-35(40)44)39-7-10-49-12-14-51-16-18-53-20-22-55-24-26-57-28-30-59-32-31-58-29-27-56-25-23-54-21-19-52-17-15-50-13-11-48-9-6-38(47)60-41-36(45)3-4-37(41)46/h1-2H,3-32H2,(H,39,42)
InChIKey
LWNZLSLPQXOOAO-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

865.4056 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 866.41288 306.6
[M+Na]+ 888.39482 304.6
[M+NH4]+ 883.43942 311.9
[M+K]+ 904.36876 308.5
[M-H]- 864.39832 302.7
[M+Na-2H]- 886.38027 305.4
[M]+ 865.40505 306.9
[M]- 865.40615 306.9
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