CID 114301

Einecs 264-493-6

Structural Information

Molecular Formula
C14H16N2O2Se2
SMILES
COC1=CC(=C(C=C1)[Se][Se]C2=C(C=C(C=C2)OC)N)N
InChI
InChI=1S/C14H16N2O2Se2/c1-17-9-3-5-13(11(15)7-9)19-20-14-6-4-10(18-2)8-12(14)16/h3-8H,15-16H2,1-2H3
InChIKey
YDJXHEXPNOLEFT-UHFFFAOYSA-N
Compound name
2-[(2-amino-4-methoxyphenyl)diselanyl]-5-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.95422 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.96150 188.1
[M+Na]+ 426.94344 194.7
[M-H]- 402.94694 193.4
[M+NH4]+ 421.98804 202.5
[M+K]+ 442.91738 190.2
[M+H-H2O]+ 386.95148 178.7
[M+HCOO]- 448.95242 211.6
[M+CH3COO]- 462.96807 210.2
[M+Na-2H]- 424.92889 188.3
[M]+ 403.95367 188.9
[M]- 403.95477 188.9
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.