CID 26685

1-(2-(dimethylamino)propyl)-2-(o-fluorobenzoyl)pyrrole monohydrochloride

Structural Information

Molecular Formula
C16H19FN2O
SMILES
CC(CN1C=CC=C1C(=O)C2=CC=CC=C2F)N(C)C
InChI
InChI=1S/C16H19FN2O/c1-12(18(2)3)11-19-10-6-9-15(19)16(20)13-7-4-5-8-14(13)17/h4-10,12H,11H2,1-3H3
InChIKey
AEPDJAPJRLHCSF-UHFFFAOYSA-N
Compound name
[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-(2-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14813 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15541 164.1
[M+Na]+ 297.13735 170.6
[M-H]- 273.14085 169.7
[M+NH4]+ 292.18195 181.0
[M+K]+ 313.11129 168.0
[M+H-H2O]+ 257.14539 154.9
[M+HCOO]- 319.14633 186.2
[M+CH3COO]- 333.16198 206.7
[M+Na-2H]- 295.12280 163.9
[M]+ 274.14758 164.9
[M]- 274.14868 164.9
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.