CID 6418698

522629-51-2

Structural Information

Molecular Formula
C18H18N3O3
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)C[N+]2=CC3=CC=CC=C3C=N2
InChI
InChI=1S/C18H17N3O3/c1-23-15-7-8-17(24-2)16(9-15)20-18(22)12-21-11-14-6-4-3-5-13(14)10-19-21/h3-11H,12H2,1-2H3/p+1
InChIKey
JGPARIUDRWHFLJ-UHFFFAOYSA-O
Compound name
N-(2,5-dimethoxyphenyl)-2-phthalazin-2-ium-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.13483 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14211 173.6
[M+Na]+ 347.12405 190.4
[M+NH4]+ 342.16865 181.8
[M+K]+ 363.09799 183.6
[M-H]- 323.12755 179.4
[M+Na-2H]- 345.10950 183.1
[M]+ 324.13428 178.0
[M]- 324.13538 178.0
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.