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]+ 249.134596 154.6
[M+Na]+ 271.116538 161.8
[M-H]- 247.120044 156.5
[M+NH4]+ 266.161143 169.7
[M+K]+ 287.090478 159.5
[M+H-H2O]+ 231.124580 145.8
[M+HCOO]- 293.125521 176.9
[M+CH3COO]- 307.141171 200.4
[M+Na-2H]- 269.101986 162.9
[M]+ 248.12677142 156.9
[M]- 248.12786858 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.