CID 6414442

522629-53-4

Structural Information

Molecular Formula
C19H18N3O3
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=N2
InChI
InChI=1S/C19H17N3O3/c1-2-25-19(24)14-7-9-17(10-8-14)21-18(23)13-22-12-16-6-4-3-5-15(16)11-20-22/h3-12H,2,13H2,1H3/p+1
InChIKey
GYCSEKPSIWZWSL-UHFFFAOYSA-O
Compound name
ethyl 4-[(2-phthalazin-2-ium-2-ylacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.13483 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14211 176.4
[M+Na]+ 359.12405 192.3
[M+NH4]+ 354.16865 184.0
[M+K]+ 375.09799 185.8
[M-H]- 335.12755 181.6
[M+Na-2H]- 357.10950 185.5
[M]+ 336.13428 180.4
[M]- 336.13538 180.4
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.