CID 9835322

Cysteinyl-arginine

Structural Information

Molecular Formula
C9H19N5O3S
SMILES
C(CC(C(=O)O)NC(=O)C(CS)N)CN=C(N)N
InChI
InChI=1S/C9H19N5O3S/c10-5(4-18)7(15)14-6(8(16)17)2-1-3-13-9(11)12/h5-6,18H,1-4,10H2,(H,14,15)(H,16,17)(H4,11,12,13)
InChIKey
RGTVXXNMOGHRAY-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-sulfanylpropanoyl)amino]-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

277.12085 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12813 163.5
[M+Na]+ 300.11007 163.1
[M+NH4]+ 295.15467 166.1
[M+K]+ 316.08401 161.9
[M-H]- 276.11357 160.9
[M+Na-2H]- 298.09552 160.9
[M]+ 277.12030 161.9
[M]- 277.12140 161.9
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