CID 26972

1-(2-(dimethylamino)ethyl)-2-(p-fluorobenzoyl)pyrrole monohydrochloride

Structural Information

Molecular Formula
C15H17FN2O
SMILES
CN(C)CCN1C=CC=C1C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H17FN2O/c1-17(2)10-11-18-9-3-4-14(18)15(19)12-5-7-13(16)8-6-12/h3-9H,10-11H2,1-2H3
InChIKey
BKOXEPSOKYFQHO-UHFFFAOYSA-N
Compound name
[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.13248 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13976 159.3
[M+Na]+ 283.12170 166.5
[M-H]- 259.12520 164.9
[M+NH4]+ 278.16630 176.8
[M+K]+ 299.09564 163.7
[M+H-H2O]+ 243.12974 150.1
[M+HCOO]- 305.13068 182.8
[M+CH3COO]- 319.14633 202.8
[M+Na-2H]- 281.10715 160.8
[M]+ 260.13193 160.4
[M]- 260.13303 160.4
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.