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 171.5
[M+Na]+ 315.13422 179.2
[M-H]- 291.13772 176.7
[M+NH4]+ 310.17882 184.5
[M+K]+ 331.10816 168.1
[M+H-H2O]+ 275.14226 164.2
[M+HCOO]- 337.14320 191.5
[M+CH3COO]- 351.15885 199.9
[M+Na-2H]- 313.11967 180.0
[M]+ 292.14445 170.8
[M]- 292.14555 170.8
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.