CID 208853

Domoxin

Structural Information

Molecular Formula
C16H18N2O2
SMILES
C1C(OC2=CC=CC=C2O1)CN(CC3=CC=CC=C3)N
InChI
InChI=1S/C16H18N2O2/c17-18(10-13-6-2-1-3-7-13)11-14-12-19-15-8-4-5-9-16(15)20-14/h1-9,14H,10-12,17H2
InChIKey
IXTXYSAWZICAPV-UHFFFAOYSA-N
Compound name
1-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

270.13684 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 162.5
[M+Na]+ 293.12606 167.1
[M-H]- 269.12956 171.2
[M+NH4]+ 288.17066 176.3
[M+K]+ 309.10000 166.4
[M+H-H2O]+ 253.13410 153.6
[M+HCOO]- 315.13504 183.5
[M+CH3COO]- 329.15069 173.7
[M+Na-2H]- 291.11151 170.3
[M]+ 270.13629 161.4
[M]- 270.13739 161.4
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.