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]+ 312.23218 178.4
[M+Na]+ 334.21412 184.6
[M-H]- 310.21762 186.4
[M+NH4]+ 329.25872 194.1
[M+K]+ 350.18806 181.7
[M+H-H2O]+ 294.22216 169.9
[M+HCOO]- 356.22310 201.1
[M+CH3COO]- 370.23875 218.8
[M+Na-2H]- 332.19957 178.2
[M]+ 311.22435 182.9
[M]- 311.22545 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.