CID 21117987

Ns00055247

Structural Information

Molecular Formula
C21H37NO2
SMILES
CC1=C(C=CC(=C1CC(C)C)CC(C)C)OCCOCCN(C)C
InChI
InChI=1S/C21H37NO2/c1-16(2)14-19-8-9-21(18(5)20(19)15-17(3)4)24-13-12-23-11-10-22(6)7/h8-9,16-17H,10-15H2,1-7H3
InChIKey
OVVOCHPIOCOTSJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-[2-methyl-3,4-bis(2-methylpropyl)phenoxy]ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.28244 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.289716 189.1
[M+Na]+ 358.271658 192.8
[M-H]- 334.275164 193.0
[M+NH4]+ 353.316263 203.8
[M+K]+ 374.245598 191.5
[M+H-H2O]+ 318.279700 181.2
[M+HCOO]- 380.280641 209.5
[M+CH3COO]- 394.296291 224.9
[M+Na-2H]- 356.257106 185.8
[M]+ 335.28189142 196.6
[M]- 335.28298858 196.6
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.