CID 43483

Ethanamine, 2-((2,2-dimethyl-6-pentyl-2h-1-benzopyran-7-yl)oxy)-n,n-dimethyl-, ethanedioate (2:1)

Structural Information

Molecular Formula
C20H31NO2
SMILES
CCCCCC1=C(C=C2C(=C1)C=CC(O2)(C)C)OCCN(C)C
InChI
InChI=1S/C20H31NO2/c1-6-7-8-9-16-14-17-10-11-20(2,3)23-19(17)15-18(16)22-13-12-21(4)5/h10-11,14-15H,6-9,12-13H2,1-5H3
InChIKey
MLEVXLOZQWRPDR-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-6-pentylchromen-7-yl)oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.242746 180.3
[M+Na]+ 340.224688 186.4
[M-H]- 316.228194 186.1
[M+NH4]+ 335.269293 197.5
[M+K]+ 356.198628 185.0
[M+H-H2O]+ 300.232730 172.8
[M+HCOO]- 362.233671 200.5
[M+CH3COO]- 376.249321 217.5
[M+Na-2H]- 338.210136 184.2
[M]+ 317.23492142 186.8
[M]- 317.23601858 186.8
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.