CID 22930861

N,n-bis(4-bromophenyl)-2,4,6-trimethylaniline

Structural Information

Molecular Formula
C21H19Br2N
SMILES
CC1=CC(=C(C(=C1)C)N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)C
InChI
InChI=1S/C21H19Br2N/c1-14-12-15(2)21(16(3)13-14)24(19-8-4-17(22)5-9-19)20-10-6-18(23)7-11-20/h4-13H,1-3H3
InChIKey
XZCBYXUKPMELOQ-UHFFFAOYSA-N
Compound name
N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

442.98843 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.99571 181.9
[M+Na]+ 465.97765 191.0
[M-H]- 441.98115 193.9
[M+NH4]+ 461.02225 196.5
[M+K]+ 481.95159 175.6
[M+H-H2O]+ 425.98569 187.6
[M+HCOO]- 487.98663 198.0
[M+CH3COO]- 502.00228 193.9
[M+Na-2H]- 463.96310 184.8
[M]+ 442.98788 216.4
[M]- 442.98898 216.4
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