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 163.2
[M+Na]+ 300.11007 163.7
[M-H]- 276.11357 160.8
[M+NH4]+ 295.15467 176.1
[M+K]+ 316.08401 162.8
[M+H-H2O]+ 260.11811 154.6
[M+HCOO]- 322.11905 179.1
[M+CH3COO]- 336.13470 210.9
[M+Na-2H]- 298.09552 158.8
[M]+ 277.12030 158.9
[M]- 277.12140 158.9
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