CID 6418281

522629-43-2

Structural Information

Molecular Formula
C18H18N3O
SMILES
CC1=CC(=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=N2)C
InChI
InChI=1S/C18H17N3O/c1-13-7-8-17(14(2)9-13)20-18(22)12-21-11-16-6-4-3-5-15(16)10-19-21/h3-11H,12H2,1-2H3/p+1
InChIKey
HNHCRYNMLDFHTP-UHFFFAOYSA-O
Compound name
N-(2,4-dimethylphenyl)-2-phthalazin-2-ium-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.145 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15228 167.2
[M+Na]+ 315.13422 185.0
[M+NH4]+ 310.17882 176.5
[M+K]+ 331.10816 177.0
[M-H]- 291.13772 174.0
[M+Na-2H]- 313.11967 177.6
[M]+ 292.14445 172.1
[M]- 292.14555 172.1
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.