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]+ 464.27953 214.8
[M+Na]+ 486.26147 217.1
[M-H]- 462.26497 223.5
[M+NH4]+ 481.30607 227.7
[M+K]+ 502.23541 213.5
[M+H-H2O]+ 446.26951 206.4
[M+HCOO]- 508.27045 223.6
[M+CH3COO]- 522.28610 221.3
[M+Na-2H]- 484.24692 212.5
[M]+ 463.27170 212.5
[M]- 463.27280 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.