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 180.3
[M+Na]+ 343.16552 186.2
[M-H]- 319.16902 184.7
[M+NH4]+ 338.21012 191.8
[M+K]+ 359.13946 174.6
[M+H-H2O]+ 303.17356 172.3
[M+HCOO]- 365.17450 199.6
[M+CH3COO]- 379.19015 204.7
[M+Na-2H]- 341.15097 188.5
[M]+ 320.17575 179.8
[M]- 320.17685 179.8
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.