CID 204914

Benzoato di 3-di-i-propilaminometil-2-bornanolo cloridrato [italian]

Structural Information

Molecular Formula
C24H37NO2
SMILES
CC(C)N(CC1C2CCC(C1OC(=O)C3=CC=CC=C3)(C2(C)C)C)C(C)C
InChI
InChI=1S/C24H37NO2/c1-16(2)25(17(3)4)15-19-20-13-14-24(7,23(20,5)6)21(19)27-22(26)18-11-9-8-10-12-18/h8-12,16-17,19-21H,13-15H2,1-7H3
InChIKey
XNYPHOBSIVAYAX-UHFFFAOYSA-N
Compound name
[3-[[di(propan-2-yl)amino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.28244 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.28972 193.3
[M+Na]+ 394.27166 200.2
[M+NH4]+ 389.31626 203.5
[M+K]+ 410.24560 194.5
[M-H]- 370.27516 195.4
[M+Na-2H]- 392.25711 196.8
[M]+ 371.28189 194.9
[M]- 371.28299 194.9
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.