CID 3053246

Brn 1492344

Structural Information

Molecular Formula
C25H33NO
SMILES
CC(C)(C)C1(CCN(CC1)CC2C3=CC=CC=C3CCC4=CC=CC=C24)O
InChI
InChI=1S/C25H33NO/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/h4-11,23,27H,12-18H2,1-3H3
InChIKey
VRPRETQJYFCPRI-UHFFFAOYSA-N
Compound name
4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

363.25623 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.26351 193.8
[M+Na]+ 386.24545 197.3
[M-H]- 362.24895 199.1
[M+NH4]+ 381.29005 207.3
[M+K]+ 402.21939 194.3
[M+H-H2O]+ 346.25349 185.8
[M+HCOO]- 408.25443 203.7
[M+CH3COO]- 422.27008 201.0
[M+Na-2H]- 384.23090 196.5
[M]+ 363.25568 186.4
[M]- 363.25678 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe