CID 3057182

Hl 2212

Structural Information

Molecular Formula
C23H29N3O2
SMILES
CCCCOC1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CCN(C)C
InChI
InChI=1S/C23H29N3O2/c1-4-5-16-28-19-12-10-18(11-13-19)17-22-20-8-6-7-9-21(20)23(27)26(24-22)15-14-25(2)3/h6-13H,4-5,14-17H2,1-3H3
InChIKey
FXXDSOYKQDAGDK-UHFFFAOYSA-N
Compound name
4-[(4-butoxyphenyl)methyl]-2-[2-(dimethylamino)ethyl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.22598 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.233256 196.0
[M+Na]+ 402.215198 202.8
[M-H]- 378.218704 201.6
[M+NH4]+ 397.259803 206.5
[M+K]+ 418.189138 197.6
[M+H-H2O]+ 362.223240 184.4
[M+HCOO]- 424.224181 216.1
[M+CH3COO]- 438.239831 227.9
[M+Na-2H]- 400.200646 199.1
[M]+ 379.22543142 201.8
[M]- 379.22652858 201.8
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.