CID 170838261

799255-55-3

Structural Information

Molecular Formula
C24H36N2O
SMILES
CC(C)CC(C1=CC=CC=C1N2CCCCC2)[C@@]3(CC=C(C=C3)OC)CN
InChI
InChI=1S/C24H36N2O/c1-19(2)17-22(24(18-25)13-11-20(27-3)12-14-24)21-9-5-6-10-23(21)26-15-7-4-8-16-26/h5-6,9-13,19,22H,4,7-8,14-18,25H2,1-3H3/t22?,24-/m0/s1
InChIKey
FVUGVVSURGDZNW-GITCGBDTSA-N
Compound name
[(1S)-4-methoxy-1-[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]cyclohexa-2,4-dien-1-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.28278 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.29006 195.7
[M+Na]+ 391.27200 196.4
[M-H]- 367.27550 201.3
[M+NH4]+ 386.31660 207.1
[M+K]+ 407.24594 191.8
[M+H-H2O]+ 351.28004 185.2
[M+HCOO]- 413.28098 209.5
[M+CH3COO]- 427.29663 221.5
[M+Na-2H]- 389.25745 193.5
[M]+ 368.28223 189.8
[M]- 368.28333 189.8
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.