CID 11544190

Schembl4804260

Structural Information

Molecular Formula
C16H14FN3O3
SMILES
CONC(=O)C1=NC=C2C(=C1O)C=CN2CC3=CC=C(C=C3)F
InChI
InChI=1S/C16H14FN3O3/c1-23-19-16(22)14-15(21)12-6-7-20(13(12)8-18-14)9-10-2-4-11(17)5-3-10/h2-8,21H,9H2,1H3,(H,19,22)
InChIKey
NEWKQJPTHZJHAR-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

315.10193 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10921 169.3
[M+Na]+ 338.09115 179.3
[M-H]- 314.09465 173.0
[M+NH4]+ 333.13575 183.2
[M+K]+ 354.06509 174.3
[M+H-H2O]+ 298.09919 159.7
[M+HCOO]- 360.10013 190.6
[M+CH3COO]- 374.11578 206.2
[M+Na-2H]- 336.07660 173.3
[M]+ 315.10138 172.0
[M]- 315.10248 172.0
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