CID 5479191

2',3'-diaz-secoddt

Structural Information

Molecular Formula
C10H14N8O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H](CN=[N+]=[N-])O[C@@H](CN=[N+]=[N-])CO
InChI
InChI=1S/C10H14N8O4/c1-6-4-18(10(21)15-9(6)20)8(3-14-17-12)22-7(5-19)2-13-16-11/h4,7-8,19H,2-3,5H2,1H3,(H,15,20,21)/t7-,8+/m0/s1
InChIKey
LZBLRKSWCMFFKU-JGVFFNPUSA-N
Compound name
1-[(1R)-2-azido-1-[(2S)-1-azido-3-hydroxypropan-2-yl]oxyethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1138 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12108 162.5
[M+Na]+ 333.10302 167.1
[M-H]- 309.10652 166.4
[M+NH4]+ 328.14762 172.6
[M+K]+ 349.07696 156.1
[M+H-H2O]+ 293.11106 161.3
[M+HCOO]- 355.11200 192.3
[M+CH3COO]- 369.12765 205.8
[M+Na-2H]- 331.08847 174.0
[M]+ 310.11325 158.7
[M]- 310.11435 158.7
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

No patent data available for this compound.