CID 376329

Nsc657150

Structural Information

Molecular Formula
C12H18ClN5O5
SMILES
CCOC1C(C(=O)NC(=O)N1C2CC(C(O2)CO)N=[N+]=[N-])(C)Cl
InChI
InChI=1S/C12H18ClN5O5/c1-3-22-10-12(2,13)9(20)15-11(21)18(10)8-4-6(16-17-14)7(5-19)23-8/h6-8,10,19H,3-5H2,1-2H3,(H,15,20,21)
InChIKey
OINZMZHAOLGEAL-UHFFFAOYSA-N
Compound name
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-chloro-6-ethoxy-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

347.09964 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10692 177.3
[M+Na]+ 370.08886 183.3
[M-H]- 346.09236 181.5
[M+NH4]+ 365.13346 189.7
[M+K]+ 386.06280 175.9
[M+H-H2O]+ 330.09690 175.1
[M+HCOO]- 392.09784 192.4
[M+CH3COO]- 406.11349 207.5
[M+Na-2H]- 368.07431 181.3
[M]+ 347.09909 174.9
[M]- 347.10019 174.9
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.