CID 3073571

Piperazine, 1,4-bis(methylfurazanyl)-, n(sup 1),n(sup 4)-dioxide

Structural Information

Molecular Formula
C10H16N6O4
SMILES
CC1=C(NON1[O-])N2CCN(CC2)C3=C(N(ON3)[O-])C
InChI
InChI=1S/C10H16N6O4/c1-7-9(11-19-15(7)17)13-3-5-14(6-4-13)10-8(2)16(18)20-12-10/h11-12H,3-6H2,1-2H3/q-2
InChIKey
VJBKELHGNACFOC-UHFFFAOYSA-N
Compound name
4-methyl-3-[4-(4-methyl-5-oxido-2H-1,2,5-oxadiazol-3-yl)piperazin-1-yl]-5-oxido-2H-1,2,5-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1233 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13058 167.2
[M+Na]+ 307.11252 172.8
[M-H]- 283.11602 165.6
[M+NH4]+ 302.15712 172.5
[M+K]+ 323.08646 171.7
[M+H-H2O]+ 267.12056 161.5
[M+HCOO]- 329.12150 174.8
[M+CH3COO]- 343.13715 189.8
[M+Na-2H]- 305.09797 164.0
[M]+ 284.12275 159.3
[M]- 284.12385 159.3
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.