CID 11142701

4-bromo-4',4''-dimethyltriphenylamine

Structural Information

Molecular Formula
C20H18BrN
SMILES
CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)Br
InChI
InChI=1S/C20H18BrN/c1-15-3-9-18(10-4-15)22(19-11-5-16(2)6-12-19)20-13-7-17(21)8-14-20/h3-14H,1-2H3
InChIKey
YMNJJMJHTXGFOR-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-4-methyl-N-(4-methylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

351.06226 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.06954 177.2
[M+Na]+ 374.05148 186.9
[M-H]- 350.05498 190.1
[M+NH4]+ 369.09608 194.0
[M+K]+ 390.02542 174.7
[M+H-H2O]+ 334.05952 174.4
[M+HCOO]- 396.06046 199.4
[M+CH3COO]- 410.07611 190.5
[M+Na-2H]- 372.03693 182.3
[M]+ 351.06171 195.7
[M]- 351.06281 195.7
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