CID 675434

314245-33-5

Structural Information

Molecular Formula
C18H21FN2O
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CN3CCCC3
InChI
InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKey
JUWDSDKJBMFLHE-UHFFFAOYSA-N
Compound name
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

111
Patents

300.1638 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17108 171.0
[M+Na]+ 323.15302 178.5
[M-H]- 299.15652 177.3
[M+NH4]+ 318.19762 187.0
[M+K]+ 339.12696 173.7
[M+H-H2O]+ 283.16106 161.5
[M+HCOO]- 345.16200 189.9
[M+CH3COO]- 359.17765 205.1
[M+Na-2H]- 321.13847 167.2
[M]+ 300.16325 169.4
[M]- 300.16435 169.4
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

patents stripe