CID 3076343

Piperidine, 4-((4-bromophenyl)phenylmethylene)-1-methyl-, hydrochloride

Structural Information

Molecular Formula
C19H20BrN
SMILES
CN1CCC(=C(C2=CC=CC=C2)C3=CC=C(C=C3)Br)CC1
InChI
InChI=1S/C19H20BrN/c1-21-13-11-17(12-14-21)19(15-5-3-2-4-6-15)16-7-9-18(20)10-8-16/h2-10H,11-14H2,1H3
InChIKey
SMAVQOQAFDCUIZ-UHFFFAOYSA-N
Compound name
4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

341.0779 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08518 176.0
[M+Na]+ 364.06712 183.3
[M-H]- 340.07062 185.4
[M+NH4]+ 359.11172 191.3
[M+K]+ 380.04106 170.4
[M+H-H2O]+ 324.07516 173.6
[M+HCOO]- 386.07610 191.4
[M+CH3COO]- 400.09175 187.4
[M+Na-2H]- 362.05257 178.9
[M]+ 341.07735 188.7
[M]- 341.07845 188.7
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.