CID 6410696

Phthalazine, 1-(4-pyridinylmethoxy)-

Structural Information

Molecular Formula
C14H11N3O
SMILES
C1=CC=C2C(=C1)C=NN=C2OCC3=CC=NC=C3
InChI
InChI=1S/C14H11N3O/c1-2-4-13-12(3-1)9-16-17-14(13)18-10-11-5-7-15-8-6-11/h1-9H,10H2
InChIKey
MBIVNMNYHJXEJI-UHFFFAOYSA-N
Compound name
1-(pyridin-4-ylmethoxy)phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09021 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.097486 152.4
[M+Na]+ 260.079428 161.3
[M-H]- 236.082934 155.7
[M+NH4]+ 255.124033 166.4
[M+K]+ 276.053368 156.2
[M+H-H2O]+ 220.087470 141.9
[M+HCOO]- 282.088411 172.5
[M+CH3COO]- 296.104061 164.1
[M+Na-2H]- 258.064876 163.0
[M]+ 237.08966142 153.2
[M]- 237.09075858 153.2
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.