CID 334614

89990-57-8

Structural Information

Molecular Formula
C14H26N4O2
SMILES
CCN(CC)CCN1CC(=O)N2CCCCN2C(=O)C1
InChI
InChI=1S/C14H26N4O2/c1-3-15(4-2)9-10-16-11-13(19)17-7-5-6-8-18(17)14(20)12-16/h3-12H2,1-2H3
InChIKey
RFHBYQJQMBUKHL-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-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

282.20557 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21285 165.1
[M+Na]+ 305.19479 168.2
[M-H]- 281.19829 166.6
[M+NH4]+ 300.23939 177.4
[M+K]+ 321.16873 170.4
[M+H-H2O]+ 265.20283 154.9
[M+HCOO]- 327.20377 178.6
[M+CH3COO]- 341.21942 208.3
[M+Na-2H]- 303.18024 166.5
[M]+ 282.20502 160.2
[M]- 282.20612 160.2
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.