CID 6410687

3-(1-phthalazinyloxy)-1-azabicyclo(2.2.2)octane monohydrochloride

Structural Information

Molecular Formula
C15H17N3O
SMILES
C1CN2CCC1C(C2)OC3=NN=CC4=CC=CC=C43
InChI
InChI=1S/C15H17N3O/c1-2-4-13-12(3-1)9-16-17-15(13)19-14-10-18-7-5-11(14)6-8-18/h1-4,9,11,14H,5-8,10H2
InChIKey
GTYBAFNXQHDBNP-UHFFFAOYSA-N
Compound name
1-(1-azabicyclo[2.2.2]octan-3-yloxy)phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 152.2
[M+Na]+ 278.12638 156.5
[M-H]- 254.12988 148.4
[M+NH4]+ 273.17098 169.6
[M+K]+ 294.10032 152.1
[M+H-H2O]+ 238.13442 141.8
[M+HCOO]- 300.13536 159.6
[M+CH3COO]- 314.15101 160.5
[M+Na-2H]- 276.11183 164.7
[M]+ 255.13661 152.4
[M]- 255.13771 152.4
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.