CID 487666

{3-[4-(tert-butyl)phenyl]-2-methylpropyl}[(1,4-dioxaspiro[4.4]non-2-yl)methyl]methylamine

Structural Information

Molecular Formula
C23H37NO2
SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)CN(C)CC2COC3(O2)CCCC3
InChI
InChI=1S/C23H37NO2/c1-18(14-19-8-10-20(11-9-19)22(2,3)4)15-24(5)16-21-17-25-23(26-21)12-6-7-13-23/h8-11,18,21H,6-7,12-17H2,1-5H3
InChIKey
RTTUMGXGUBOBAQ-UHFFFAOYSA-N
Compound name
3-(4-tert-butylphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N,2-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.28244 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.28972 193.7
[M+Na]+ 382.27166 195.5
[M-H]- 358.27516 203.5
[M+NH4]+ 377.31626 209.6
[M+K]+ 398.24560 195.4
[M+H-H2O]+ 342.27970 187.6
[M+HCOO]- 404.28064 209.6
[M+CH3COO]- 418.29629 220.1
[M+Na-2H]- 380.25711 192.4
[M]+ 359.28189 194.0
[M]- 359.28299 194.0
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.