CID 487664

{3-[4-(tert-butyl)phenyl]-2-methylpropyl}ethyl{[2-(methoxymethyl)-2-methyl(1,3-dioxolan-4-yl)]methyl}amine

Structural Information

Molecular Formula
C23H39NO3
SMILES
CCN(CC1COC(O1)(C)COC)CC(C)CC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C23H39NO3/c1-8-24(15-21-16-26-23(6,27-21)17-25-7)14-18(2)13-19-9-11-20(12-10-19)22(3,4)5/h9-12,18,21H,8,13-17H2,1-7H3
InChIKey
BTXSRUHRRGEGRD-UHFFFAOYSA-N
Compound name
3-(4-tert-butylphenyl)-N-ethyl-N-[[2-(methoxymethyl)-2-methyl-1,3-dioxolan-4-yl]methyl]-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.293 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.30028 198.3
[M+Na]+ 400.28222 201.2
[M-H]- 376.28572 206.4
[M+NH4]+ 395.32682 212.0
[M+K]+ 416.25616 202.0
[M+H-H2O]+ 360.29026 191.7
[M+HCOO]- 422.29120 215.3
[M+CH3COO]- 436.30685 226.5
[M+Na-2H]- 398.26767 198.5
[M]+ 377.29245 204.5
[M]- 377.29355 204.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.