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 177.8
[M+Na]+ 347.12405 185.0
[M-H]- 323.12755 183.0
[M+NH4]+ 342.16865 189.2
[M+K]+ 363.09799 175.3
[M+H-H2O]+ 307.13209 169.9
[M+HCOO]- 369.13303 198.1
[M+CH3COO]- 383.14868 204.1
[M+Na-2H]- 345.10950 186.5
[M]+ 324.13428 179.7
[M]- 324.13538 179.7
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.