CID 6852149

Gsnhoh

Structural Information

Molecular Formula
C10H18N4O7S
SMILES
C(CC(=O)N[C@@H](CSNO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C10H18N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6,14,21H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/t5-,6-/m0/s1
InChIKey
ZOIIDZWLSVVTGQ-WDSKDSINSA-N
Compound name
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(hydroxyamino)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

338.08963 Da
Monoisotopic Mass

-7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09691 171.9
[M+Na]+ 361.07885 170.5
[M-H]- 337.08235 165.9
[M+NH4]+ 356.12345 180.4
[M+K]+ 377.05279 170.1
[M+H-H2O]+ 321.08689 163.5
[M+HCOO]- 383.08783 183.5
[M+CH3COO]- 397.10348 212.6
[M+Na-2H]- 359.06430 167.3
[M]+ 338.08908 169.4
[M]- 338.09018 169.4
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