CID 151956

Arg-arg

Structural Information

Molecular Formula
C12H26N8O3
SMILES
C(C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)CN=C(N)N
InChI
InChI=1S/C12H26N8O3/c13-7(3-1-5-18-11(14)15)9(21)20-8(10(22)23)4-2-6-19-12(16)17/h7-8H,1-6,13H2,(H,20,21)(H,22,23)(H4,14,15,18)(H4,16,17,19)/t7-,8-/m0/s1
InChIKey
OMLWNBVRVJYMBQ-YUMQZZPRSA-N
Compound name
(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

12337
Patents

330.2128 Da
Monoisotopic Mass

-6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.22008 175.8
[M+Na]+ 353.20202 174.2
[M-H]- 329.20552 174.4
[M+NH4]+ 348.24662 185.6
[M+K]+ 369.17596 176.2
[M+H-H2O]+ 313.21006 165.8
[M+HCOO]- 375.21100 199.2
[M+CH3COO]- 389.22665 234.1
[M+Na-2H]- 351.18747 170.4
[M]+ 330.21225 167.1
[M]- 330.21335 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe