CID 15991

1927-14-6

Structural Information

Molecular Formula
C23H26ClNO2
SMILES
CN1C2CCCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)Cl
InChI
InChI=1S/C23H26ClNO2/c1-25-19-13-8-14-20(25)16-21(15-19)27-22(26)23(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19-21H,8,13-16H2,1H3
InChIKey
BONLPMRYPAVFBW-UHFFFAOYSA-N
Compound name
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-chloro-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1652 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17248 192.8
[M+Na]+ 406.15442 196.1
[M-H]- 382.15792 198.3
[M+NH4]+ 401.19902 204.4
[M+K]+ 422.12836 189.8
[M+H-H2O]+ 366.16246 183.0
[M+HCOO]- 428.16340 199.7
[M+CH3COO]- 442.17905 200.1
[M+Na-2H]- 404.13987 195.2
[M]+ 383.16465 190.2
[M]- 383.16575 190.2
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.