CID 445986

(4'-{[allyl(methyl)amino]methyl}-1,1'-biphenyl-4-yl)(4-bromophenyl)methanone

Structural Information

Molecular Formula
C24H22BrNO
SMILES
CN(CC=C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C24H22BrNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3
InChIKey
YATCZCSDJCQNAL-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

419.08847 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.09575 196.1
[M+Na]+ 442.07769 204.0
[M-H]- 418.08119 208.2
[M+NH4]+ 437.12229 209.8
[M+K]+ 458.05163 191.0
[M+H-H2O]+ 402.08573 192.3
[M+HCOO]- 464.08667 216.4
[M+CH3COO]- 478.10232 227.8
[M+Na-2H]- 440.06314 197.9
[M]+ 419.08792 215.1
[M]- 419.08902 215.1
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