CID 204857

2-bornanol, 3-(((2-(diethylamino)ethyl)methylamino)methyl)-, benzilate (ester)

Structural Information

Molecular Formula
C32H46N2O3
SMILES
CCN(CC)CCN(C)CC1C2CCC(C1OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)(C2(C)C)C
InChI
InChI=1S/C32H46N2O3/c1-7-34(8-2)22-21-33(6)23-26-27-19-20-31(5,30(27,3)4)28(26)37-29(35)32(36,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,26-28,36H,7-8,19-23H2,1-6H3
InChIKey
PUBRIXBWKXJFLA-UHFFFAOYSA-N
Compound name
[3-[[2-(diethylamino)ethyl-methylamino]methyl]-1,7,7-trimethyl-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

506.35083 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.35811 229.5
[M+Na]+ 529.34005 230.4
[M-H]- 505.34355 238.3
[M+NH4]+ 524.38465 244.6
[M+K]+ 545.31399 227.5
[M+H-H2O]+ 489.34809 222.1
[M+HCOO]- 551.34903 245.3
[M+CH3COO]- 565.36468 252.8
[M+Na-2H]- 527.32550 226.7
[M]+ 506.35028 233.6
[M]- 506.35138 233.6
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.