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]+ 375.264236 194.0
[M+Na]+ 397.246178 197.3
[M-H]- 373.249684 191.6
[M+NH4]+ 392.290783 212.9
[M+K]+ 413.220118 194.0
[M+H-H2O]+ 357.254220 185.6
[M+HCOO]- 419.255161 201.9
[M+CH3COO]- 433.270811 227.2
[M+Na-2H]- 395.231626 200.5
[M]+ 374.25641142 199.3
[M]- 374.25750858 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.