CID 13931114

73338-66-6

Structural Information

Molecular Formula
C19H33N3O10
SMILES
C(CN(CCC(=O)O)CCN(CCC(=O)O)CCN(CCC(=O)O)CCC(=O)O)C(=O)O
InChI
InChI=1S/C19H33N3O10/c23-15(24)1-6-20(7-2-16(25)26)11-13-22(10-5-19(31)32)14-12-21(8-3-17(27)28)9-4-18(29)30/h1-14H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKey
VMQYJVUVHJKOLB-UHFFFAOYSA-N
Compound name
3-[2-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

463.21658 Da
Monoisotopic Mass

-9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.22386 221.1
[M+Na]+ 486.20580 229.9
[M+NH4]+ 481.25040 229.9
[M+K]+ 502.17974 227.1
[M-H]- 462.20930 229.6
[M+Na-2H]- 484.19125 230.0
[M]+ 463.21603 225.2
[M]- 463.21713 225.2
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