CID 204920

Benzoato di 3-morfolinometil-2-bornanolo cloridrato [italian]

Structural Information

Molecular Formula
C22H31NO3
SMILES
CC1(C2CCC1(C(C2CN3CCOCC3)OC(=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C22H31NO3/c1-21(2)18-9-10-22(21,3)19(17(18)15-23-11-13-25-14-12-23)26-20(24)16-7-5-4-6-8-16/h4-8,17-19H,9-15H2,1-3H3
InChIKey
VOSHRJPRYGJNKW-UHFFFAOYSA-N
Compound name
[1,7,7-trimethyl-3-(morpholin-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.2304 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.23768 187.6
[M+Na]+ 380.21962 196.8
[M+NH4]+ 375.26422 198.4
[M+K]+ 396.19356 190.3
[M-H]- 356.22312 192.1
[M+Na-2H]- 378.20507 192.1
[M]+ 357.22985 190.4
[M]- 357.23095 190.4
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.