CID 371926

Nsc646577

Structural Information

Molecular Formula
C10H14ClN5O5
SMILES
CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)O)N=[N+]=[N-])Cl
InChI
InChI=1S/C10H14ClN5O5/c1-10(11)7(14-15-12)16(9(20)13-8(10)19)6-2-4(18)5(3-17)21-6/h4-7,17-18H,2-3H2,1H3,(H,13,19,20)
InChIKey
HZBYASIGWIEKSG-UHFFFAOYSA-N
Compound name
6-azido-5-chloro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.06836 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07564 168.4
[M+Na]+ 342.05758 174.9
[M-H]- 318.06108 171.7
[M+NH4]+ 337.10218 181.3
[M+K]+ 358.03152 167.1
[M+H-H2O]+ 302.06562 167.0
[M+HCOO]- 364.06656 182.8
[M+CH3COO]- 378.08221 199.1
[M+Na-2H]- 340.04303 173.0
[M]+ 319.06781 163.7
[M]- 319.06891 163.7
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.