CID 333695

69405-16-9

Structural Information

Molecular Formula
C14H23N3O2
SMILES
C1CCC(CC1)N2CC(=O)N3CCCCN3C(=O)C2
InChI
InChI=1S/C14H23N3O2/c18-13-10-15(12-6-2-1-3-7-12)11-14(19)17-9-5-4-8-16(13)17/h12H,1-11H2
InChIKey
FRASCJCLWQAAEN-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.17902 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.186296 163.0
[M+Na]+ 288.168238 165.1
[M-H]- 264.171744 165.4
[M+NH4]+ 283.212843 174.8
[M+K]+ 304.142178 165.3
[M+H-H2O]+ 248.176280 152.4
[M+HCOO]- 310.177221 172.1
[M+CH3COO]- 324.192871 170.6
[M+Na-2H]- 286.153686 163.4
[M]+ 265.17847142 150.9
[M]- 265.17956858 150.9
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

No patent data available for this compound.