CID 3009673

(2r-cis)-2-(2,4-difluorophenyl)-4-(5-methyl-4-oxohexyl)-2-[(1h-pyrrol-1-yl)methyl]tetrahydrofuran

Structural Information

Molecular Formula
C22H27F2NO2
SMILES
CC(C)C(=O)CCC[C@H]1C[C@](OC1)(CN2C=CC=C2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C22H27F2NO2/c1-16(2)21(26)7-5-6-17-13-22(27-14-17,15-25-10-3-4-11-25)19-9-8-18(23)12-20(19)24/h3-4,8-12,16-17H,5-7,13-15H2,1-2H3/t17-,22-/m0/s1
InChIKey
UXSOYWCLQOIAGP-JTSKRJEESA-N
Compound name
6-[(3S,5R)-5-(2,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)oxolan-3-yl]-2-methylhexan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.201 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20828 190.5
[M+Na]+ 398.19022 196.2
[M-H]- 374.19372 196.7
[M+NH4]+ 393.23482 205.1
[M+K]+ 414.16416 192.4
[M+H-H2O]+ 358.19826 181.2
[M+HCOO]- 420.19920 206.6
[M+CH3COO]- 434.21485 218.1
[M+Na-2H]- 396.17567 185.7
[M]+ 375.20045 190.0
[M]- 375.20155 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.