CID 205030

Benzilato di 3-dimetilaminometil-2-bornanolo cloridrato [italian]

Structural Information

Molecular Formula
C27H35NO3
SMILES
CC1(C2CCC1(C(C2CN(C)C)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C)C
InChI
InChI=1S/C27H35NO3/c1-25(2)22-16-17-26(25,3)23(21(22)18-28(4)5)31-24(29)27(30,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-23,30H,16-18H2,1-5H3
InChIKey
GCQDLVMSTKLUPM-UHFFFAOYSA-N
Compound name
[3-[(dimethylamino)methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.2617 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.26898 202.2
[M+Na]+ 444.25092 210.8
[M+NH4]+ 439.29552 212.3
[M+K]+ 460.22486 204.6
[M-H]- 420.25442 206.0
[M+Na-2H]- 442.23637 209.0
[M]+ 421.26115 204.8
[M]- 421.26225 204.8
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.