CID 11558926

Chembl578590

Structural Information

Molecular Formula
C18H18FN3O2
SMILES
CCCN(C(=O)C1=NC=C2C(=C1)C=CN2CC3=CC=C(C=C3)F)O
InChI
InChI=1S/C18H18FN3O2/c1-2-8-22(24)18(23)16-10-14-7-9-21(17(14)11-20-16)12-13-3-5-15(19)6-4-13/h3-7,9-11,24H,2,8,12H2,1H3
InChIKey
DDPNLUCBQHSHLI-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propylpyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

327.1383 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14558 175.6
[M+Na]+ 350.12752 184.1
[M-H]- 326.13102 180.0
[M+NH4]+ 345.17212 189.4
[M+K]+ 366.10146 179.3
[M+H-H2O]+ 310.13556 165.4
[M+HCOO]- 372.13650 196.5
[M+CH3COO]- 386.15215 211.9
[M+Na-2H]- 348.11297 178.4
[M]+ 327.13775 178.4
[M]- 327.13885 178.4
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