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]+ 349.135376 173.4
[M+Na]+ 371.117318 187.6
[M-H]- 347.120824 187.8
[M+NH4]+ 366.161923 179.0
[M+K]+ 387.091258 175.6
[M+H-H2O]+ 331.125360 166.0
[M+HCOO]- 393.126301 171.9
[M+CH3COO]- 407.141951 217.8
[M+Na-2H]- 369.102766 170.2
[M]+ 348.12755142 165.0
[M]- 348.12864858 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.