CID 3045466

Pyrrolidine, 1-(2-((2,2-dimethyl-5-pentyl-2h-1-benzopyran-7-yl)oxy)ethyl)-, ethanedioate (2:1)

Structural Information

Molecular Formula
C22H33NO2
SMILES
CCCCCC1=C2C=CC(OC2=CC(=C1)OCCN3CCCC3)(C)C
InChI
InChI=1S/C22H33NO2/c1-4-5-6-9-18-16-19(24-15-14-23-12-7-8-13-23)17-21-20(18)10-11-22(2,3)25-21/h10-11,16-17H,4-9,12-15H2,1-3H3
InChIKey
NAUMMBDSPRGHLA-UHFFFAOYSA-N
Compound name
1-[2-(2,2-dimethyl-5-pentylchromen-7-yl)oxyethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.25113 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.25841 187.5
[M+Na]+ 366.24035 199.5
[M+NH4]+ 361.28495 197.1
[M+K]+ 382.21429 190.7
[M-H]- 342.24385 192.6
[M+Na-2H]- 364.22580 192.9
[M]+ 343.25058 190.9
[M]- 343.25168 190.9
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.