CID 425110

2-benzhydryl-3-quinuclidinone

Structural Information

Molecular Formula
C20H21NO
SMILES
C1CN2CCC1C(=O)C2C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H21NO/c22-20-17-11-13-21(14-12-17)19(20)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19H,11-14H2
InChIKey
PQSXXBSNZJLXMQ-UHFFFAOYSA-N
Compound name
2-benzhydryl-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

79
Patents

291.16232 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.169596 164.8
[M+Na]+ 314.151538 167.1
[M-H]- 290.155044 165.5
[M+NH4]+ 309.196143 182.2
[M+K]+ 330.125478 161.9
[M+H-H2O]+ 274.159580 155.4
[M+HCOO]- 336.160521 174.0
[M+CH3COO]- 350.176171 172.8
[M+Na-2H]- 312.136986 173.1
[M]+ 291.16177142 163.0
[M]- 291.16286858 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe