CID 11522745

Schembl4809398

Structural Information

Molecular Formula
C17H16FN3O3
SMILES
CN(C(=O)C1=NC=C2C(=C1OC)C=CN2CC3=CC=C(C=C3)F)O
InChI
InChI=1S/C17H16FN3O3/c1-20(23)17(22)15-16(24-2)13-7-8-21(14(13)9-19-15)10-11-3-5-12(18)6-4-11/h3-9,23H,10H2,1-2H3
InChIKey
VCJSPWWFOMECPA-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-N-hydroxy-4-methoxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

329.11758 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12486 174.1
[M+Na]+ 352.10680 183.7
[M-H]- 328.11030 179.1
[M+NH4]+ 347.15140 188.0
[M+K]+ 368.08074 179.9
[M+H-H2O]+ 312.11484 164.2
[M+HCOO]- 374.11578 195.5
[M+CH3COO]- 388.13143 212.3
[M+Na-2H]- 350.09225 176.8
[M]+ 329.11703 178.3
[M]- 329.11813 178.3
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

patents stripe