CID 377523

Nsc659018

Structural Information

Molecular Formula
C18H30ClN5O5
SMILES
CCCCCCCCOC1C(C(=O)NC(=O)N1C2CC(C(O2)CO)N=[N+]=[N-])(C)Cl
InChI
InChI=1S/C18H30ClN5O5/c1-3-4-5-6-7-8-9-28-16-18(2,19)15(26)21-17(27)24(16)14-10-12(22-23-20)13(11-25)29-14/h12-14,16,25H,3-11H2,1-2H3,(H,21,26,27)
InChIKey
XNPNRQOMPILZIB-UHFFFAOYSA-N
Compound name
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-chloro-5-methyl-6-octoxy-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

431.19354 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.20082 203.6
[M+Na]+ 454.18276 207.0
[M-H]- 430.18626 206.8
[M+NH4]+ 449.22736 212.7
[M+K]+ 470.15670 198.4
[M+H-H2O]+ 414.19080 200.4
[M+HCOO]- 476.19174 216.8
[M+CH3COO]- 490.20739 225.4
[M+Na-2H]- 452.16821 204.8
[M]+ 431.19299 203.3
[M]- 431.19409 203.3
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.