CID 129042

Thrazarine

Structural Information

Molecular Formula
C7H11N3O5
SMILES
C[C@H](C(=[N+]=[N-])C(=O)OC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C7H11N3O5/c1-3(11)5(10-9)7(14)15-2-4(8)6(12)13/h3-4,11H,2,8H2,1H3,(H,12,13)/t3-,4+/m1/s1
InChIKey
WAKGSHQRLIGGLB-DMTCNVIQSA-N
Compound name
(2S)-2-amino-3-[(3R)-2-diazo-3-hydroxybutanoyl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

57
Patents

217.06987 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07715 143.8
[M+Na]+ 240.05909 147.4
[M-H]- 216.06259 142.0
[M+NH4]+ 235.10369 159.3
[M+K]+ 256.03303 143.2
[M+H-H2O]+ 200.06713 142.5
[M+HCOO]- 262.06807 165.7
[M+CH3COO]- 276.08372 182.5
[M+Na-2H]- 238.04454 145.5
[M]+ 217.06932 138.7
[M]- 217.07042 138.7
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