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
3
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

literature stripe

Patent stripe

patents stripe