CID 13452928

Cyclo(l-arg-l-leu)

Structural Information

Molecular Formula
C12H23N5O2
SMILES
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CCCN=C(N)N
InChI
InChI=1S/C12H23N5O2/c1-7(2)6-9-11(19)16-8(10(18)17-9)4-3-5-15-12(13)14/h7-9H,3-6H2,1-2H3,(H,16,19)(H,17,18)(H4,13,14,15)/t8-,9-/m0/s1
InChIKey
ITXHVWPICGMUBU-IUCAKERBSA-N
Compound name
2-[3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.18518 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.19246 166.7
[M+Na]+ 292.17440 170.0
[M-H]- 268.17790 164.6
[M+NH4]+ 287.21900 178.4
[M+K]+ 308.14834 166.6
[M+H-H2O]+ 252.18244 158.6
[M+HCOO]- 314.18338 182.6
[M+CH3COO]- 328.19903 205.3
[M+Na-2H]- 290.15985 164.5
[M]+ 269.18463 159.0
[M]- 269.18573 159.0
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

patents stripe