CID 165440

Trisodium (n,n-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))cobaltate(3-)

Structural Information

Molecular Formula
C14H23N3O10
SMILES
C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CN(CC(=O)O)C(=O)O
InChI
InChI=1S/C14H23N3O10/c18-10(19)6-15(2-1-3-17(14(26)27)9-13(24)25)4-5-16(7-11(20)21)8-12(22)23/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)
InChIKey
PNLVYWPFVGWPGV-UHFFFAOYSA-N
Compound name
2-[2-[bis(carboxymethyl)amino]ethyl-[3-[carboxy(carboxymethyl)amino]propyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.13834 Da
Monoisotopic Mass

-5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.145616 198.8
[M+Na]+ 416.127558 209.9
[M-H]- 392.131064 210.5
[M+NH4]+ 411.172163 208.2
[M+K]+ 432.101498 201.3
[M+H-H2O]+ 376.135600 200.5
[M+HCOO]- 438.136541 191.8
[M+CH3COO]- 452.152191 226.1
[M+Na-2H]- 414.113006 192.4
[M]+ 393.13779142 191.8
[M]- 393.13888858 191.8
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

No patent data available for this compound.