CID 202674

Brn 2775570

Structural Information

Molecular Formula
C27H35NO2
SMILES
CC1(C2CCC1(C(C2CN(C)C)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C)C
InChI
InChI=1S/C27H35NO2/c1-26(2)22-16-17-27(26,3)24(21(22)18-28(4)5)30-25(29)23(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-24H,16-18H2,1-5H3
InChIKey
NGSDCQQOMVUTRX-UHFFFAOYSA-N
Compound name
[3-[(dimethylamino)methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.26678 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.27406 201.3
[M+Na]+ 428.25600 211.0
[M+NH4]+ 423.30060 212.5
[M+K]+ 444.22994 203.3
[M-H]- 404.25950 206.5
[M+Na-2H]- 426.24145 208.4
[M]+ 405.26623 204.4
[M]- 405.26733 204.4
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.