CID 155234495

Repibresib (usan)

Structural Information

Molecular Formula
C20H16N2O3
SMILES
CN1C=C(C2=C(C1=O)NC=C2)C3=C(C(=CC=C3)O)OC4=CC=CC=C4
InChI
InChI=1S/C20H16N2O3/c1-22-12-16(14-10-11-21-18(14)20(22)24)15-8-5-9-17(23)19(15)25-13-6-3-2-4-7-13/h2-12,21,23H,1H3
InChIKey
IYQNLEOCTFTMJE-UHFFFAOYSA-N
Compound name
4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

332.1161 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12338 177.0
[M+Na]+ 355.10532 188.1
[M-H]- 331.10882 184.1
[M+NH4]+ 350.14992 189.6
[M+K]+ 371.07926 180.8
[M+H-H2O]+ 315.11336 167.6
[M+HCOO]- 377.11430 197.5
[M+CH3COO]- 391.12995 188.3
[M+Na-2H]- 353.09077 180.9
[M]+ 332.11555 179.3
[M]- 332.11665 179.3
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