CID 57023242

Cyclo(l-arginyl-l-aspartyl)

Structural Information

Molecular Formula
C10H17N5O4
SMILES
C(C[C@H]1C(=O)N[C@H](C(=O)N1)CC(=O)O)CN=C(N)N
InChI
InChI=1S/C10H17N5O4/c11-10(12)13-3-1-2-5-8(18)15-6(4-7(16)17)9(19)14-5/h5-6H,1-4H2,(H,14,19)(H,15,18)(H,16,17)(H4,11,12,13)/t5-,6-/m0/s1
InChIKey
LPFZILBYUYKZSU-WDSKDSINSA-N
Compound name
2-[(2S,5S)-5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.12805 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13533 161.2
[M+Na]+ 294.11727 164.8
[M-H]- 270.12077 158.0
[M+NH4]+ 289.16187 171.7
[M+K]+ 310.09121 161.7
[M+H-H2O]+ 254.12531 153.3
[M+HCOO]- 316.12625 176.9
[M+CH3COO]- 330.14190 201.2
[M+Na-2H]- 292.10272 159.8
[M]+ 271.12750 153.0
[M]- 271.12860 153.0
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