CID 135506049

2,4-diiodo-6-(((4-(2-methoxyphenyl)-1-piperazinyl)imino)methyl)phenol

Structural Information

Molecular Formula
C18H19I2N3O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)/N=C/C3=C(C(=CC(=C3)I)I)O
InChI
InChI=1S/C18H19I2N3O2/c1-25-17-5-3-2-4-16(17)22-6-8-23(9-7-22)21-12-13-10-14(19)11-15(20)18(13)24/h2-5,10-12,24H,6-9H2,1H3/b21-12+
InChIKey
UUHLNZNUSPICLO-CIAFOILYSA-N
Compound name
2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.95667 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.96395 193.9
[M+Na]+ 585.94589 185.5
[M-H]- 561.94939 186.8
[M+NH4]+ 580.99049 194.3
[M+K]+ 601.91983 192.6
[M+H-H2O]+ 545.95393 177.4
[M+HCOO]- 607.95487 200.9
[M+CH3COO]- 621.97052 230.8
[M+Na-2H]- 583.93134 178.3
[M]+ 562.95612 186.8
[M]- 562.95722 186.8
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.