CID 3073570

1h-1,4-diazepine, hexahydro-1,4-bis(methylfurazanyl)-

Structural Information

Molecular Formula
C11H16N6O2
SMILES
CC1=NON=C1N2CCCN(CC2)C3=NON=C3C
InChI
InChI=1S/C11H16N6O2/c1-8-10(14-18-12-8)16-4-3-5-17(7-6-16)11-9(2)13-19-15-11/h3-7H2,1-2H3
InChIKey
KCBBRIOJACYQGA-UHFFFAOYSA-N
Compound name
3-methyl-4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,4-diazepan-1-yl]-1,2,5-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13348 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14076 156.7
[M+Na]+ 287.12270 165.5
[M-H]- 263.12620 161.7
[M+NH4]+ 282.16730 165.1
[M+K]+ 303.09664 167.2
[M+H-H2O]+ 247.13074 143.0
[M+HCOO]- 309.13168 171.7
[M+CH3COO]- 323.14733 167.2
[M+Na-2H]- 285.10815 157.8
[M]+ 264.13293 155.6
[M]- 264.13403 155.6
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.