CID 51340949

1263045-16-4

Structural Information

Molecular Formula
C18H28N2O9
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C18H28N2O9/c21-15(3-6-20-16(22)1-2-17(20)23)19-5-8-27-10-12-29-14-13-28-11-9-26-7-4-18(24)25/h1-2H,3-14H2,(H,19,21)(H,24,25)
InChIKey
IAJVEYLYYHOZEY-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

416.17947 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.18675 191.4
[M+Na]+ 439.16869 193.3
[M-H]- 415.17219 190.6
[M+NH4]+ 434.21329 200.3
[M+K]+ 455.14263 192.9
[M+H-H2O]+ 399.17673 182.6
[M+HCOO]- 461.17767 210.9
[M+CH3COO]- 475.19332 222.8
[M+Na-2H]- 437.15414 189.6
[M]+ 416.17892 201.1
[M]- 416.18002 201.1
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