CID 3058729

75523-34-1

Structural Information

Molecular Formula
C22H34N2O3
SMILES
C[C@]12CC[C@H]([C@@H](C1)OCCCNC(=O)C3=CC=CC=C3OC)C(N2C)(C)C
InChI
InChI=1S/C22H34N2O3/c1-21(2)17-11-12-22(3,24(21)4)15-19(17)27-14-8-13-23-20(25)16-9-6-7-10-18(16)26-5/h6-7,9-10,17,19H,8,11-15H2,1-5H3,(H,23,25)/t17-,19-,22+/m1/s1
InChIKey
AWGFFWOQYWYUEZ-JUXOCIIHSA-N
Compound name
2-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 191.0
[M+Na]+ 397.24618 200.3
[M+NH4]+ 392.29078 202.0
[M+K]+ 413.22012 188.9
[M-H]- 373.24968 190.5
[M+Na-2H]- 395.23163 191.2
[M]+ 374.25641 192.4
[M]- 374.25751 192.4
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.