CID 369676

Nsc641699

Structural Information

Molecular Formula
C11H16IN5O5
SMILES
CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-])OC)I
InChI
InChI=1S/C11H16IN5O5/c1-11(12)8(19)14-10(20)17(9(11)21-2)7-3-5(15-16-13)6(4-18)22-7/h5-7,9,18H,3-4H2,1-2H3,(H,14,19,20)
InChIKey
UAZORMJZFVHZFJ-UHFFFAOYSA-N
Compound name
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-6-methoxy-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

425.01962 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.02690 181.6
[M+Na]+ 448.00884 180.6
[M-H]- 424.01234 179.6
[M+NH4]+ 443.05344 189.9
[M+K]+ 463.98278 180.4
[M+H-H2O]+ 408.01688 175.0
[M+HCOO]- 470.01782 196.5
[M+CH3COO]- 484.03347 210.8
[M+Na-2H]- 445.99429 174.4
[M]+ 425.01907 174.8
[M]- 425.02017 174.8
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

patents stripe