CID 24838517

Brn 5832193

Structural Information

Molecular Formula
C12H18N4O8
SMILES
C(CC(=O)N(CC(=O)O)C(=O)CN)C(=O)N(CC(=O)O)C(=O)CN
InChI
InChI=1S/C12H18N4O8/c13-3-9(19)15(5-11(21)22)7(17)1-2-8(18)16(6-12(23)24)10(20)4-14/h1-6,13-14H2,(H,21,22)(H,23,24)
InChIKey
UBNYSPNFSJJPKD-UHFFFAOYSA-N
Compound name
2-[(2-aminoacetyl)-[4-[(2-aminoacetyl)-(carboxymethyl)amino]-4-oxobutanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.11246 Da
Monoisotopic Mass

-8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11974 174.9
[M+Na]+ 369.10168 200.8
[M+NH4]+ 364.14628 197.0
[M+K]+ 385.07562 195.5
[M-H]- 345.10518 200.6
[M+Na-2H]- 367.08713 169.5
[M]+ 346.11191 193.4
[M]- 346.11301 193.4
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.