CID 135421205

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

Structural Information

Molecular Formula
C22H21I2N3O
SMILES
C1CN(CCN1CC2=CC=CC3=CC=CC=C32)/N=C/C4=C(C(=CC(=C4)I)I)O
InChI
InChI=1S/C22H21I2N3O/c23-19-12-18(22(28)21(24)13-19)14-25-27-10-8-26(9-11-27)15-17-6-3-5-16-4-1-2-7-20(16)17/h1-7,12-14,28H,8-11,15H2/b25-14+
InChIKey
PVMYFFZPACJSGY-AFUMVMLFSA-N
Compound name
2,4-diiodo-6-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.9774 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.98468 199.4
[M+Na]+ 619.96662 190.7
[M-H]- 595.97012 192.2
[M+NH4]+ 615.01122 199.2
[M+K]+ 635.94056 196.0
[M+H-H2O]+ 579.97466 182.1
[M+HCOO]- 641.97560 204.8
[M+CH3COO]- 655.99125 198.3
[M+Na-2H]- 617.95207 185.0
[M]+ 596.97685 190.9
[M]- 596.97795 190.9
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.