CID 3058724

75513-75-6

Structural Information

Molecular Formula
C22H34N2O3
SMILES
C[C@]12CC[C@H]([C@@H](C1)OCCCNC(=O)C3=CC(=CC=C3)OC)C(N2C)(C)C
InChI
InChI=1S/C22H34N2O3/c1-21(2)18-10-11-22(3,24(21)4)15-19(18)27-13-7-12-23-20(25)16-8-6-9-17(14-16)26-5/h6,8-9,14,18-19H,7,10-13,15H2,1-5H3,(H,23,25)/t18-,19-,22+/m1/s1
InChIKey
GNBTWYUDUUSKEG-KNKQGSTJSA-N
Compound name
3-methoxy-N-[3-[[(1S,4S,5R)-1,2,3,3-tetramethyl-2-azabicyclo[2.2.2]octan-5-yl]oxy]propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.25696 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.26424 194.0
[M+Na]+ 397.24618 197.3
[M-H]- 373.24968 191.6
[M+NH4]+ 392.29078 212.9
[M+K]+ 413.22012 194.0
[M+H-H2O]+ 357.25422 185.6
[M+HCOO]- 419.25516 201.9
[M+CH3COO]- 433.27081 227.2
[M+Na-2H]- 395.23163 200.5
[M]+ 374.25641 199.3
[M]- 374.25751 199.3
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.