CID 171116491

Cyclo(l-arginyl-l-glutamyl)

Structural Information

Molecular Formula
C11H19N5O4
SMILES
C(C[C@H]1C(=O)N[C@H](C(=O)N1)CCC(=O)O)CN=C(N)N
InChI
InChI=1S/C11H19N5O4/c12-11(13)14-5-1-2-6-9(19)16-7(10(20)15-6)3-4-8(17)18/h6-7H,1-5H2,(H,15,20)(H,16,19)(H,17,18)(H4,12,13,14)/t6-,7-/m0/s1
InChIKey
JQECHQVXJZKTDN-BQBZGAKWSA-N
Compound name
3-[(2S,5S)-5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1437 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15098 165.3
[M+Na]+ 308.13292 168.5
[M-H]- 284.13642 161.9
[M+NH4]+ 303.17752 175.3
[M+K]+ 324.10686 165.3
[M+H-H2O]+ 268.14096 157.3
[M+HCOO]- 330.14190 180.7
[M+CH3COO]- 344.15755 204.2
[M+Na-2H]- 306.11837 163.5
[M]+ 285.14315 157.5
[M]- 285.14425 157.5
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.