CID 10718819

N-(4'-iodobiphenyl-4-yl)-n-(m-tolyl)aniline

Structural Information

Molecular Formula
C25H20IN
SMILES
CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)I
InChI
InChI=1S/C25H20IN/c1-19-6-5-9-25(18-19)27(23-7-3-2-4-8-23)24-16-12-21(13-17-24)20-10-14-22(26)15-11-20/h2-18H,1H3
InChIKey
AKQZSFMSAULQQN-UHFFFAOYSA-N
Compound name
N-[4-(4-iodophenyl)phenyl]-3-methyl-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

461.06406 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.07134 196.2
[M+Na]+ 484.05328 195.0
[M-H]- 460.05678 201.0
[M+NH4]+ 479.09788 203.3
[M+K]+ 500.02722 194.3
[M+H-H2O]+ 444.06132 181.0
[M+HCOO]- 506.06226 214.5
[M+CH3COO]- 520.07791 201.9
[M+Na-2H]- 482.03873 188.4
[M]+ 461.06351 192.0
[M]- 461.06461 192.0
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

patents stripe