CID 334619

89990-62-5

Structural Information

Molecular Formula
C15H26N4O2
SMILES
C1CCN(CC1)CCN2CC(=O)N3CCCCN3C(=O)C2
InChI
InChI=1S/C15H26N4O2/c20-14-12-17(11-10-16-6-2-1-3-7-16)13-15(21)19-9-5-4-8-18(14)19/h1-13H2
InChIKey
CJWXBDRPWUQUNM-UHFFFAOYSA-N
Compound name
3-(2-piperidin-1-ylethyl)-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

294.20557 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21285 172.2
[M+Na]+ 317.19479 174.0
[M-H]- 293.19829 173.0
[M+NH4]+ 312.23939 181.5
[M+K]+ 333.16873 173.7
[M+H-H2O]+ 277.20283 159.8
[M+HCOO]- 339.20377 179.7
[M+CH3COO]- 353.21942 178.5
[M+Na-2H]- 315.18024 172.0
[M]+ 294.20502 160.9
[M]- 294.20612 160.9
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.