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]+ 380.23326 196.0
[M+Na]+ 402.21520 202.8
[M-H]- 378.21870 201.6
[M+NH4]+ 397.25980 206.5
[M+K]+ 418.18914 197.6
[M+H-H2O]+ 362.22324 184.4
[M+HCOO]- 424.22418 216.1
[M+CH3COO]- 438.23983 227.9
[M+Na-2H]- 400.20065 199.1
[M]+ 379.22543 201.8
[M]- 379.22653 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.