CID 146389326

6-bromo-n,n-bis(4-methoxybenzyl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine

Structural Information

Molecular Formula
C23H22BrF3N2O2
SMILES
CC1=CC(=NC(=C1C(F)(F)F)Br)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C23H22BrF3N2O2/c1-15-12-20(28-22(24)21(15)23(25,26)27)29(13-16-4-8-18(30-2)9-5-16)14-17-6-10-19(31-3)11-7-17/h4-12H,13-14H2,1-3H3
InChIKey
UUIXEVYDTVLEFF-UHFFFAOYSA-N
Compound name
6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

494.08167 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.08895 214.2
[M+Na]+ 517.07089 224.2
[M-H]- 493.07439 222.1
[M+NH4]+ 512.11549 224.3
[M+K]+ 533.04483 211.5
[M+H-H2O]+ 477.07893 207.1
[M+HCOO]- 539.07987 229.6
[M+CH3COO]- 553.09552 239.3
[M+Na-2H]- 515.05634 215.0
[M]+ 494.08112 233.6
[M]- 494.08222 233.6
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