CID 137333866

Chebi:142971

Structural Information

Molecular Formula
C11H20N4O7
SMILES
C(CNC(=O)C[C@](CC(=O)NC[C@@H](C(=O)O)N)(C(=O)O)O)N
InChI
InChI=1S/C11H20N4O7/c12-1-2-14-7(16)3-11(22,10(20)21)4-8(17)15-5-6(13)9(18)19/h6,22H,1-5,12-13H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21)/t6-,11-/m0/s1
InChIKey
GKMWYFDLBOVUPV-KGFZYKRKSA-N
Compound name
(2S)-2-[2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-oxoethyl]-4-(2-aminoethylamino)-2-hydroxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1332 Da
Monoisotopic Mass

-9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14048 168.2
[M+Na]+ 343.12242 168.2
[M-H]- 319.12592 162.6
[M+NH4]+ 338.16702 171.3
[M+K]+ 359.09636 169.1
[M+H-H2O]+ 303.13046 161.0
[M+HCOO]- 365.13140 169.1
[M+CH3COO]- 379.14705 210.9
[M+Na-2H]- 341.10787 165.8
[M]+ 320.13265 163.4
[M]- 320.13375 163.4
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.