CID 6410585

Hl 2185

Structural Information

Molecular Formula
C19H21N3O
SMILES
CN(C)CCOC1=NN=C(C2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C19H21N3O/c1-22(2)12-13-23-19-17-11-7-6-10-16(17)18(20-21-19)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKey
CQEZYPMWFUYVEM-UHFFFAOYSA-N
Compound name
2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.16846 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.175736 174.3
[M+Na]+ 330.157678 181.0
[M-H]- 306.161184 179.9
[M+NH4]+ 325.202283 187.4
[M+K]+ 346.131618 176.5
[M+H-H2O]+ 290.165720 163.3
[M+HCOO]- 352.166661 195.6
[M+CH3COO]- 366.182311 184.9
[M+Na-2H]- 328.143126 181.2
[M]+ 307.16791142 177.3
[M]- 307.16900858 177.3
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.