CID 3058725

75513-77-8

Structural Information

Molecular Formula
C21H31ClN2O2
SMILES
C[C@]12CC[C@H]([C@@H](C1)OCCCNC(=O)C3=CC=C(C=C3)Cl)C(N2C)(C)C
InChI
InChI=1S/C21H31ClN2O2/c1-20(2)17-10-11-21(3,24(20)4)14-18(17)26-13-5-12-23-19(25)15-6-8-16(22)9-7-15/h6-9,17-18H,5,10-14H2,1-4H3,(H,23,25)/t17-,18-,21+/m1/s1
InChIKey
WLVBHGXWHBMQCB-OPYAIIAOSA-N
Compound name
4-chloro-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

378.2074 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21468 192.7
[M+Na]+ 401.19662 197.5
[M-H]- 377.20012 190.5
[M+NH4]+ 396.24122 212.5
[M+K]+ 417.17056 192.3
[M+H-H2O]+ 361.20466 185.5
[M+HCOO]- 423.20560 196.7
[M+CH3COO]- 437.22125 199.8
[M+Na-2H]- 399.18207 199.0
[M]+ 378.20685 198.4
[M]- 378.20795 198.4
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.