CID 392326

Nsc692602

Structural Information

Molecular Formula
C10H16N6O4
SMILES
C(CCCN1C(=O)NNC1=O)CCN2C(=O)NNC2=O
InChI
InChI=1S/C10H16N6O4/c17-7-11-12-8(18)15(7)5-3-1-2-4-6-16-9(19)13-14-10(16)20/h1-6H2,(H,11,17)(H,12,18)(H,13,19)(H,14,20)
InChIKey
ZDOGUWIVRFSTHQ-UHFFFAOYSA-N
Compound name
4-[6-(3,5-dioxo-1,2,4-triazolidin-4-yl)hexyl]-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

284.1233 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13058 162.4
[M+Na]+ 307.11252 173.5
[M-H]- 283.11602 158.2
[M+NH4]+ 302.15712 171.2
[M+K]+ 323.08646 166.7
[M+H-H2O]+ 267.12056 153.4
[M+HCOO]- 329.12150 178.2
[M+CH3COO]- 343.13715 188.5
[M+Na-2H]- 305.09797 162.6
[M]+ 284.12275 162.9
[M]- 284.12385 162.9
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

patents stripe