CID 3057188

Hl 2156

Structural Information

Molecular Formula
C12H15N3O
SMILES
CN(C)CCN1C(=O)C2=CC=CC=C2C=N1
InChI
InChI=1S/C12H15N3O/c1-14(2)7-8-15-12(16)11-6-4-3-5-10(11)9-13-15/h3-6,9H,7-8H2,1-2H3
InChIKey
AFGHQNXDVFYWOK-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 147.3
[M+Na]+ 240.11072 161.4
[M+NH4]+ 235.15532 155.5
[M+K]+ 256.08466 154.3
[M-H]- 216.11422 150.0
[M+Na-2H]- 238.09617 154.8
[M]+ 217.12095 150.0
[M]- 217.12205 150.0
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.