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

2
Patents

217.1215 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 147.4
[M+Na]+ 240.110718 156.4
[M-H]- 216.114224 150.8
[M+NH4]+ 235.155323 165.0
[M+K]+ 256.084658 153.8
[M+H-H2O]+ 200.118760 139.0
[M+HCOO]- 262.119701 170.1
[M+CH3COO]- 276.135351 195.0
[M+Na-2H]- 238.096166 155.6
[M]+ 217.12095142 150.2
[M]- 217.12204858 150.2
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

patents stripe