CID 6415132

522629-47-6

Structural Information

Molecular Formula
C20H22N3O
SMILES
CCCCC1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=N2
InChI
InChI=1S/C20H21N3O/c1-2-3-6-16-9-11-19(12-10-16)22-20(24)15-23-14-18-8-5-4-7-17(18)13-21-23/h4-5,7-14H,2-3,6,15H2,1H3/p+1
InChIKey
OBMLTPLNALEXGL-UHFFFAOYSA-O
Compound name
N-(4-butylphenyl)-2-phthalazin-2-ium-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1763 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18358 176.2
[M+Na]+ 343.16552 193.2
[M+NH4]+ 338.21012 185.2
[M+K]+ 359.13946 184.6
[M-H]- 319.16902 182.8
[M+Na-2H]- 341.15097 186.3
[M]+ 320.17575 181.0
[M]- 320.17685 181.0
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.