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 177.8
[M+Na]+ 380.06202 185.2
[M-H]- 356.06552 188.5
[M+NH4]+ 375.10662 195.1
[M+K]+ 396.03596 172.6
[M+H-H2O]+ 340.07006 175.6
[M+HCOO]- 402.07100 196.4
[M+CH3COO]- 416.08665 189.5
[M+Na-2H]- 378.04747 183.0
[M]+ 357.07225 191.7
[M]- 357.07335 191.7
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

No patent data available for this compound.