CID 64576

Benzilic acid, 1,3-diazaadamant-6-yl ester

Structural Information

Molecular Formula
C22H24N2O3
SMILES
C1C2CN3CC(C2OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)CN1C3
InChI
InChI=1S/C22H24N2O3/c25-21(27-20-16-11-23-13-17(20)14-24(12-16)15-23)22(26,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,16-17,20,26H,11-15H2
InChIKey
VFKSRNPUBDKBLL-UHFFFAOYSA-N
Compound name
1,3-diazatricyclo[3.3.1.13,7]decan-6-yl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17868 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 181.9
[M+Na]+ 387.16790 193.4
[M+NH4]+ 382.21250 191.4
[M+K]+ 403.14184 185.9
[M-H]- 363.17140 182.1
[M+Na-2H]- 385.15335 181.7
[M]+ 364.17813 183.6
[M]- 364.17923 183.6
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.