CID 204983

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

Structural Information

Molecular Formula
C29H37NO4
SMILES
CC1(C2CCC1(C(C2CN3CCOCC3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C)C
InChI
InChI=1S/C29H37NO4/c1-27(2)24-14-15-28(27,3)25(23(24)20-30-16-18-33-19-17-30)34-26(31)29(32,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23-25,32H,14-20H2,1-3H3
InChIKey
MYBKSZDACYZDQM-UHFFFAOYSA-N
Compound name
[1,7,7-trimethyl-3-(morpholin-4-ylmethyl)-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

463.27225 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.279526 214.8
[M+Na]+ 486.261468 217.1
[M-H]- 462.264974 223.5
[M+NH4]+ 481.306073 227.7
[M+K]+ 502.235408 213.5
[M+H-H2O]+ 446.269510 206.4
[M+HCOO]- 508.270451 223.6
[M+CH3COO]- 522.286101 221.3
[M+Na-2H]- 484.246916 212.5
[M]+ 463.27170142 212.5
[M]- 463.27279858 212.5
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.