CID 3024754

Cyclohexanone, 2-benzylamino-2-(p-bromophenyl)-, hydrochloride

Structural Information

Molecular Formula
C19H20BrNO
SMILES
C1CCC(C(=O)C1)(C2=CC=C(C=C2)Br)NCC3=CC=CC=C3
InChI
InChI=1S/C19H20BrNO/c20-17-11-9-16(10-12-17)19(13-5-4-8-18(19)22)21-14-15-6-2-1-3-7-15/h1-3,6-7,9-12,21H,4-5,8,13-14H2
InChIKey
XCFLJKGGXMMGCM-UHFFFAOYSA-N
Compound name
2-(benzylamino)-2-(4-bromophenyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.0728 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08008 176.9
[M+Na]+ 380.06202 181.3
[M+NH4]+ 375.10662 183.7
[M+K]+ 396.03596 176.7
[M-H]- 356.06552 182.3
[M+Na-2H]- 378.04747 184.5
[M]+ 357.07225 178.2
[M]- 357.07335 178.2
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

No patent data available for this compound.