CID 3053249

4-piperidinol, 4-(t-butyl)-1-((5h-dibenzo(a,d)cyclohepten-5-yl)methyl)-, hydrochloride

Structural Information

Molecular Formula
C25H31NO
SMILES
CC(C)(C)C1(CCN(CC1)CC2C3=CC=CC=C3C=CC4=CC=CC=C24)O
InChI
InChI=1S/C25H31NO/c1-24(2,3)25(27)14-16-26(17-15-25)18-23-21-10-6-4-8-19(21)12-13-20-9-5-7-11-22(20)23/h4-13,23,27H,14-18H2,1-3H3
InChIKey
XLRXQKXVTVFZOO-UHFFFAOYSA-N
Compound name
4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

361.24057 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.24785 193.2
[M+Na]+ 384.22979 197.8
[M-H]- 360.23329 199.0
[M+NH4]+ 379.27439 206.9
[M+K]+ 400.20373 194.8
[M+H-H2O]+ 344.23783 185.4
[M+HCOO]- 406.23877 204.6
[M+CH3COO]- 420.25442 201.0
[M+Na-2H]- 382.21524 196.9
[M]+ 361.24002 187.2
[M]- 361.24112 187.2
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

patents stripe