CID 3056636

4-piperidinol, 1-(2-(10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-ylidene)ethyl)-4-phenyl-, hydrobromide, dihydrate

Structural Information

Molecular Formula
C28H29NO
SMILES
C1CC2=CC=CC=C2C(=CCN3CCC(CC3)(C4=CC=CC=C4)O)C5=CC=CC=C51
InChI
InChI=1S/C28H29NO/c30-28(24-10-2-1-3-11-24)17-20-29(21-18-28)19-16-27-25-12-6-4-8-22(25)14-15-23-9-5-7-13-26(23)27/h1-13,16,30H,14-15,17-21H2
InChIKey
XAMGVAUJQIMXFM-UHFFFAOYSA-N
Compound name
4-phenyl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.2249 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.23218 203.7
[M+Na]+ 418.21412 207.4
[M-H]- 394.21762 211.5
[M+NH4]+ 413.25872 215.0
[M+K]+ 434.18806 202.0
[M+H-H2O]+ 378.22216 193.6
[M+HCOO]- 440.22310 215.5
[M+CH3COO]- 454.23875 210.1
[M+Na-2H]- 416.19957 205.6
[M]+ 395.22435 194.3
[M]- 395.22545 194.3
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.