CID 6410587

Hl 2187

Structural Information

Molecular Formula
C20H23N3O
SMILES
CN(C)CCCOC1=NN=C(C2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C20H23N3O/c1-23(2)13-8-14-24-20-18-12-7-6-11-17(18)19(21-22-20)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKey
PTNYCEQLUWCYAR-UHFFFAOYSA-N
Compound name
3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1841 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19138 178.9
[M+Na]+ 344.17332 185.1
[M-H]- 320.17682 184.2
[M+NH4]+ 339.21792 191.3
[M+K]+ 360.14726 180.4
[M+H-H2O]+ 304.18136 167.7
[M+HCOO]- 366.18230 199.8
[M+CH3COO]- 380.19795 215.3
[M+Na-2H]- 342.15877 185.2
[M]+ 321.18355 182.2
[M]- 321.18465 182.2
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