CID 131751299

N2-(2-carboxymethyl-2-hydroxysuccinoyl)arginine

Structural Information

Molecular Formula
C12H20N4O8
SMILES
COC(=O)C(CC(=O)O)(C(=O)NC(CCCN=C(N)N)C(=O)O)O
InChI
InChI=1S/C12H20N4O8/c1-24-10(22)12(23,5-7(17)18)9(21)16-6(8(19)20)3-2-4-15-11(13)14/h6,23H,2-5H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H4,13,14,15)
InChIKey
VFYGIOOMURRJLU-UHFFFAOYSA-N
Compound name
3-[[1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]-3-hydroxy-4-methoxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1281 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13538 173.4
[M+Na]+ 371.11732 187.6
[M-H]- 347.12082 187.8
[M+NH4]+ 366.16192 179.0
[M+K]+ 387.09126 175.6
[M+H-H2O]+ 331.12536 166.0
[M+HCOO]- 393.12630 171.9
[M+CH3COO]- 407.14195 217.8
[M+Na-2H]- 369.10277 170.2
[M]+ 348.12755 165.0
[M]- 348.12865 165.0
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.