CID 51346381

Chembl2107026

Structural Information

Molecular Formula
C21H33NO
SMILES
C[C@@]12CC[C@H](C1(C)C)CC2(CC3=CC=CC=C3)OCCN(C)C
InChI
InChI=1S/C21H33NO/c1-19(2)18-11-12-20(19,3)21(16-18,23-14-13-22(4)5)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3/t18-,20+,21?/m0/s1
InChIKey
XAZVHBVUJRRLHH-PALXJHBUSA-N
Compound name
2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

315.25623 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.26351 178.8
[M+Na]+ 338.24545 185.2
[M-H]- 314.24895 185.9
[M+NH4]+ 333.29005 204.9
[M+K]+ 354.21939 181.5
[M+H-H2O]+ 298.25349 173.2
[M+HCOO]- 360.25443 199.3
[M+CH3COO]- 374.27008 214.1
[M+Na-2H]- 336.23090 180.8
[M]+ 315.25568 182.0
[M]- 315.25678 182.0
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.