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]+ 448.28462 213.0
[M+Na]+ 470.26656 215.3
[M-H]- 446.27006 222.8
[M+NH4]+ 465.31116 227.1
[M+K]+ 486.24050 211.3
[M+H-H2O]+ 430.27460 203.4
[M+HCOO]- 492.27554 223.8
[M+CH3COO]- 506.29119 219.9
[M+Na-2H]- 468.25201 207.8
[M]+ 447.27679 210.6
[M]- 447.27789 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.