CID 204904

Brn 4735402

Structural Information

Molecular Formula
C29H37NO3
SMILES
CC1(C2CCC1(C(C2CN3CCOCC3)OC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C
InChI
InChI=1S/C29H37NO3/c1-28(2)24-14-15-29(28,3)26(23(24)20-30-16-18-32-19-17-30)33-27(31)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23-26H,14-20H2,1-3H3
InChIKey
AWLCMZMFRNPFAY-UHFFFAOYSA-N
Compound name
[1,7,7-trimethyl-3-(morpholin-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.27734 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.284616 213.0
[M+Na]+ 470.266558 215.3
[M-H]- 446.270064 222.8
[M+NH4]+ 465.311163 227.1
[M+K]+ 486.240498 211.3
[M+H-H2O]+ 430.274600 203.4
[M+HCOO]- 492.275541 223.8
[M+CH3COO]- 506.291191 219.9
[M+Na-2H]- 468.252006 207.8
[M]+ 447.27679142 210.6
[M]- 447.27788858 210.6
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.