CID 334626

67744-77-8

Structural Information

Molecular Formula
C17H23N3O3
SMILES
CCOC1=CC=C(C=C1)N2CC(=O)N3CCCC(N3C(=O)C2)C
InChI
InChI=1S/C17H23N3O3/c1-3-23-15-8-6-14(7-9-15)18-11-16(21)19-10-4-5-13(2)20(19)17(22)12-18/h6-9,13H,3-5,10-12H2,1-2H3
InChIKey
NIEZKKNMLQZNCK-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-7-methyl-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

317.17395 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18123 175.1
[M+Na]+ 340.16317 180.5
[M-H]- 316.16667 178.9
[M+NH4]+ 335.20777 185.7
[M+K]+ 356.13711 180.8
[M+H-H2O]+ 300.17121 164.7
[M+HCOO]- 362.17215 187.6
[M+CH3COO]- 376.18780 209.3
[M+Na-2H]- 338.14862 175.8
[M]+ 317.17340 170.2
[M]- 317.17450 170.2
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.