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
5
Annotation Hits

158
References

22600
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 155.7
[M+Na]+ 278.07876 169.8
[M+NH4]+ 273.12336 164.0
[M+K]+ 294.05270 163.8
[M-H]- 254.08226 159.1
[M+Na-2H]- 276.06421 160.9
[M]+ 255.08899 158.7
[M]- 255.09009 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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