CID 135526874

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

Structural Information

Molecular Formula
C19H21I2N3O
SMILES
CC1=CC=C(C=C1)CN2CCN(CC2)/N=C/C3=C(C(=CC(=C3)I)I)O
InChI
InChI=1S/C19H21I2N3O/c1-14-2-4-15(5-3-14)13-23-6-8-24(9-7-23)22-12-16-10-17(20)11-18(21)19(16)25/h2-5,10-12,25H,6-9,13H2,1H3/b22-12+
InChIKey
PZLRDLDQFILDBH-WSDLNYQXSA-N
Compound name
2,4-diiodo-6-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.9774 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.98468 193.3
[M+Na]+ 583.96662 184.8
[M-H]- 559.97012 186.1
[M+NH4]+ 579.01122 193.9
[M+K]+ 599.94056 191.1
[M+H-H2O]+ 543.97466 176.9
[M+HCOO]- 605.97560 200.0
[M+CH3COO]- 619.99125 231.4
[M+Na-2H]- 581.95207 177.4
[M]+ 560.97685 185.4
[M]- 560.97795 185.4
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.