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]+ 266.18630 163.0
[M+Na]+ 288.16824 165.1
[M-H]- 264.17174 165.4
[M+NH4]+ 283.21284 174.8
[M+K]+ 304.14218 165.3
[M+H-H2O]+ 248.17628 152.4
[M+HCOO]- 310.17722 172.1
[M+CH3COO]- 324.19287 170.6
[M+Na-2H]- 286.15369 163.4
[M]+ 265.17847 150.9
[M]- 265.17957 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.