CID 29130

Bs 5933

Structural Information

Molecular Formula
C21H29NO
SMILES
CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)OCCN(C)C
InChI
InChI=1S/C21H29NO/c1-15-9-7-10-16(2)19(15)21(23-14-13-22(5)6)20-17(3)11-8-12-18(20)4/h7-12,21H,13-14H2,1-6H3
InChIKey
KIWSONUGHFLVFH-UHFFFAOYSA-N
Compound name
2-[bis(2,6-dimethylphenyl)methoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.2249 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.232176 178.4
[M+Na]+ 334.214118 184.6
[M-H]- 310.217624 186.4
[M+NH4]+ 329.258723 194.1
[M+K]+ 350.188058 181.7
[M+H-H2O]+ 294.222160 169.9
[M+HCOO]- 356.223101 201.1
[M+CH3COO]- 370.238751 218.8
[M+Na-2H]- 332.199566 178.2
[M]+ 311.22435142 182.9
[M]- 311.22544858 182.9
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.