CID 54759124

1263296-80-5

Structural Information

Molecular Formula
C19H19NO
SMILES
C1CC2(C1=O)CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H19NO/c21-17-11-12-19(17)13-20(14-19)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,18H,11-14H2
InChIKey
OOOVSAUNKBGABS-UHFFFAOYSA-N
Compound name
2-benzhydryl-2-azaspiro[3.3]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

277.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15395 161.6
[M+Na]+ 300.13589 166.7
[M+NH4]+ 295.18049 164.1
[M+K]+ 316.10983 161.3
[M-H]- 276.13939 162.5
[M+Na-2H]- 298.12134 167.6
[M]+ 277.14612 160.7
[M]- 277.14722 160.7
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