CID 3052914

Brn 0676317

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1CCN2C(=O)CN(CC(=O)N2C1)C3=CC=CC=C3
InChI
InChI=1S/C14H17N3O2/c18-13-10-15(12-6-2-1-3-7-12)11-14(19)17-9-5-4-8-16(13)17/h1-3,6-7H,4-5,8-11H2
InChIKey
YYNNCBCMYMYLFA-UHFFFAOYSA-N
Compound name
3-phenyl-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

259.13208 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 161.3
[M+Na]+ 282.12130 171.8
[M+NH4]+ 277.16590 167.8
[M+K]+ 298.09524 166.7
[M-H]- 258.12480 163.2
[M+Na-2H]- 280.10675 166.2
[M]+ 259.13153 163.1
[M]- 259.13263 163.1
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.