CID 43485

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

Structural Information

Molecular Formula
C22H35NO2
SMILES
CCCCCC1=C(C=C2C(=C1)C=CC(O2)(C)C)OCCN(CC)CC
InChI
InChI=1S/C22H35NO2/c1-6-9-10-11-18-16-19-12-13-22(4,5)25-21(19)17-20(18)24-15-14-23(7-2)8-3/h12-13,16-17H,6-11,14-15H2,1-5H3
InChIKey
DRHRRXDXDIYZEC-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-6-pentylchromen-7-yl)oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.26678 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.27406 189.6
[M+Na]+ 368.25600 194.8
[M-H]- 344.25950 195.0
[M+NH4]+ 363.30060 205.6
[M+K]+ 384.22994 193.0
[M+H-H2O]+ 328.26404 181.7
[M+HCOO]- 390.26498 209.1
[M+CH3COO]- 404.28063 223.4
[M+Na-2H]- 366.24145 192.4
[M]+ 345.26623 196.8
[M]- 345.26733 196.8
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.