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]+ 346.274056 189.6
[M+Na]+ 368.255998 194.8
[M-H]- 344.259504 195.0
[M+NH4]+ 363.300603 205.6
[M+K]+ 384.229938 193.0
[M+H-H2O]+ 328.264040 181.7
[M+HCOO]- 390.264981 209.1
[M+CH3COO]- 404.280631 223.4
[M+Na-2H]- 366.241446 192.4
[M]+ 345.26623142 196.8
[M]- 345.26732858 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.