CID 118338101

1621096-79-4

Structural Information

Molecular Formula
C24H38N2O10
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C24H38N2O10/c27-21-8-9-22(28)26(21)36-23(29)10-12-31-14-16-33-18-19-34-17-15-32-13-11-25-24(30)35-20-6-4-2-1-3-5-7-20/h1-2,20H,3-19H2,(H,25,30)/b2-1-
InChIKey
ZKPMRASGLDBKPF-UPHRSURJSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

434
Patents

514.2526 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.25988 190.5
[M+Na]+ 537.24182 191.3
[M-H]- 513.24532 191.8
[M+NH4]+ 532.28642 192.9
[M+K]+ 553.21576 192.3
[M+H-H2O]+ 497.24986 184.8
[M+HCOO]- 559.25080 197.3
[M+CH3COO]- 573.26645 246.8
[M+Na-2H]- 535.22727 186.0
[M]+ 514.25205 193.1
[M]- 514.25315 193.1
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