CID 11168457

N-biotinyl-n'-(3-maleimidopropionyl)-3,6-dioxaoctane-1,8-diamine

Structural Information

Molecular Formula
C23H35N5O7S
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)NC(=O)N2
InChI
InChI=1S/C23H35N5O7S/c29-18(4-2-1-3-17-22-16(15-36-17)26-23(33)27-22)24-8-11-34-13-14-35-12-9-25-19(30)7-10-28-20(31)5-6-21(28)32/h5-6,16-17,22H,1-4,7-15H2,(H,24,29)(H,25,30)(H2,26,27,33)/t16-,17-,22-/m0/s1
InChIKey
UDPCXVIKHFVPSZ-HOIFWPIMSA-N
Compound name
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

584
Patents

525.2257 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.23298 218.9
[M+Na]+ 548.21492 218.2
[M-H]- 524.21842 219.0
[M+NH4]+ 543.25952 225.1
[M+K]+ 564.18886 215.2
[M+H-H2O]+ 508.22296 212.0
[M+HCOO]- 570.22390 227.4
[M+CH3COO]- 584.23955 241.3
[M+Na-2H]- 546.20037 211.3
[M]+ 525.22515 222.6
[M]- 525.22625 222.6
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