CID 44630018

201802-15-5

Structural Information

Molecular Formula
C20H18INO2
SMILES
COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)I
InChI
InChI=1S/C20H18INO2/c1-23-19-11-7-17(8-12-19)22(16-5-3-15(21)4-6-16)18-9-13-20(24-2)14-10-18/h3-14H,1-2H3
InChIKey
VGQDQJMYUYSINZ-UHFFFAOYSA-N
Compound name
N-(4-iodophenyl)-4-methoxy-N-(4-methoxyphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

431.03824 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.04552 193.2
[M+Na]+ 454.02746 201.3
[M+NH4]+ 449.07206 197.7
[M+K]+ 470.00140 195.1
[M-H]- 430.03096 194.8
[M+Na-2H]- 452.01291 191.6
[M]+ 431.03769 194.0
[M]- 431.03879 194.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe