CID 11558501

Schembl4803201

Structural Information

Molecular Formula
C15H12FN3O3
SMILES
C1=CC(=CC=C1CN2C=CC3=C(C(=NC=C32)C(=O)NO)O)F
InChI
InChI=1S/C15H12FN3O3/c16-10-3-1-9(2-4-10)8-19-6-5-11-12(19)7-17-13(14(11)20)15(21)18-22/h1-7,20,22H,8H2,(H,18,21)
InChIKey
FRSCWSTUAFBPMF-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-N,4-dihydroxypyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

301.08627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09355 164.7
[M+Na]+ 324.07549 174.8
[M-H]- 300.07899 167.3
[M+NH4]+ 319.12009 178.5
[M+K]+ 340.04943 169.2
[M+H-H2O]+ 284.08353 155.7
[M+HCOO]- 346.08447 184.8
[M+CH3COO]- 360.10012 200.9
[M+Na-2H]- 322.06094 168.9
[M]+ 301.08572 165.3
[M]- 301.08682 165.3
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