CID 18218192

Cysteinyl-asparagine

Structural Information

Molecular Formula
C7H13N3O4S
SMILES
C(C(C(=O)O)NC(=O)C(CS)N)C(=O)N
InChI
InChI=1S/C7H13N3O4S/c8-3(2-15)6(12)10-4(7(13)14)1-5(9)11/h3-4,15H,1-2,8H2,(H2,9,11)(H,10,12)(H,13,14)
InChIKey
AYKQJQVWUYEZNU-UHFFFAOYSA-N
Compound name
4-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.06268 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06996 152.0
[M+Na]+ 258.05190 153.9
[M+NH4]+ 253.09650 155.2
[M+K]+ 274.02584 152.9
[M-H]- 234.05540 148.3
[M+Na-2H]- 256.03735 149.7
[M]+ 235.06213 150.6
[M]- 235.06323 150.6
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