CID 4888

Pranoprofen

Structural Information

Molecular Formula
C15H13NO3
SMILES
CC(C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)C(=O)O
InChI
InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)
InChIKey
TVQZAMVBTVNYLA-UHFFFAOYSA-N
Compound name
2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

158
References

23384
Patents

255.08954 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 155.1
[M+Na]+ 278.07876 162.7
[M-H]- 254.08226 158.4
[M+NH4]+ 273.12336 170.5
[M+K]+ 294.05270 160.2
[M+H-H2O]+ 238.08680 147.5
[M+HCOO]- 300.08774 170.9
[M+CH3COO]- 314.10339 166.5
[M+Na-2H]- 276.06421 162.0
[M]+ 255.08899 155.6
[M]- 255.09009 155.6
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