CID 6414463

596107-59-4

Structural Information

Molecular Formula
C19H18N3O2
SMILES
CCC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=N2
InChI
InChI=1S/C19H17N3O2/c1-2-18(23)14-7-9-17(10-8-14)21-19(24)13-22-12-16-6-4-3-5-15(16)11-20-22/h3-12H,2,13H2,1H3/p+1
InChIKey
GPYXONMKGMZYCI-UHFFFAOYSA-O
Compound name
2-phthalazin-2-ium-2-yl-N-(4-propanoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1399 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14718 177.8
[M+Na]+ 343.12912 183.8
[M-H]- 319.13262 182.5
[M+NH4]+ 338.17372 189.0
[M+K]+ 359.10306 173.1
[M+H-H2O]+ 303.13716 170.0
[M+HCOO]- 365.13810 196.8
[M+CH3COO]- 379.15375 203.7
[M+Na-2H]- 341.11457 185.5
[M]+ 320.13935 177.0
[M]- 320.14045 177.0
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.