CID 71887

Taloximine

Structural Information

Molecular Formula
C12H16N4O2
SMILES
CN(C)CCOC1=NN=C(C2=CC=CC=C21)NO
InChI
InChI=1S/C12H16N4O2/c1-16(2)7-8-18-12-10-6-4-3-5-9(10)11(15-17)13-14-12/h3-6,17H,7-8H2,1-2H3,(H,13,15)
InChIKey
GWPPGFBGXMICEH-UHFFFAOYSA-N
Compound name
N-[4-[2-(dimethylamino)ethoxy]phthalazin-1-yl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

248.12732 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13460 154.6
[M+Na]+ 271.11654 161.8
[M-H]- 247.12004 156.5
[M+NH4]+ 266.16114 169.7
[M+K]+ 287.09048 159.5
[M+H-H2O]+ 231.12458 145.8
[M+HCOO]- 293.12552 176.9
[M+CH3COO]- 307.14117 200.4
[M+Na-2H]- 269.10199 162.9
[M]+ 248.12677 156.9
[M]- 248.12787 156.9
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.