CID 23076

Ksd 2444

Structural Information

Molecular Formula
C25H31NO
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)OC3CC4CCCC(C3)N4CC=C
InChI
InChI=1S/C25H31NO/c1-3-16-26-21-13-9-14-22(26)18-23(17-21)27-25(20-11-5-4-6-12-20)24-15-8-7-10-19(24)2/h3-8,10-12,15,21-23,25H,1,9,13-14,16-18H2,2H3
InChIKey
QWTGOIHCGYVNMH-UHFFFAOYSA-N
Compound name
3-[(2-methylphenyl)-phenylmethoxy]-9-prop-2-enyl-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.24057 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.24785 191.8
[M+Na]+ 384.22979 193.8
[M-H]- 360.23329 197.1
[M+NH4]+ 379.27439 203.5
[M+K]+ 400.20373 187.2
[M+H-H2O]+ 344.23783 180.7
[M+HCOO]- 406.23877 203.8
[M+CH3COO]- 420.25442 198.9
[M+Na-2H]- 382.21524 191.7
[M]+ 361.24002 186.7
[M]- 361.24112 186.7
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.