CID 54338059

Asn-cys

Structural Information

Molecular Formula
C7H13N3O4S
SMILES
C([C@@H](C(=O)N[C@@H](CS)C(=O)O)N)C(=O)N
InChI
InChI=1S/C7H13N3O4S/c8-3(1-5(9)11)6(12)10-4(2-15)7(13)14/h3-4,15H,1-2,8H2,(H2,9,11)(H,10,12)(H,13,14)/t3-,4-/m0/s1
InChIKey
TWXZVVXRRRRSLT-IMJSIDKUSA-N
Compound name
(2R)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3467
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

literature stripe

Patent stripe

patents stripe