CID 3057184

Hl 2160

Structural Information

Molecular Formula
C15H21N3O
SMILES
CCN(CC)CCN1C(=O)C2=CC=CC=C2C(=N1)C
InChI
InChI=1S/C15H21N3O/c1-4-17(5-2)10-11-18-15(19)14-9-7-6-8-13(14)12(3)16-18/h6-9H,4-5,10-11H2,1-3H3
InChIKey
XUNHALDMRHEDMY-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.16846 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.175736 161.5
[M+Na]+ 282.157678 170.1
[M-H]- 258.161184 164.7
[M+NH4]+ 277.202283 177.6
[M+K]+ 298.131618 166.8
[M+H-H2O]+ 242.165720 152.7
[M+HCOO]- 304.166661 183.2
[M+CH3COO]- 318.182311 205.2
[M+Na-2H]- 280.143126 167.3
[M]+ 259.16791142 165.7
[M]- 259.16900858 165.7
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.