CID 4846

Pirenoxine

Structural Information

Molecular Formula
C16H8N2O5
SMILES
C1=CC=C2C(=C1)N=C3C(=CC(=O)C4=C3C(=O)C=C(N4)C(=O)O)O2
InChI
InChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)
InChIKey
OKPNYGAWTYOBFZ-UHFFFAOYSA-N
Compound name
1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

1380
Patents

308.04333 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05061 165.8
[M+Na]+ 331.03255 183.3
[M+NH4]+ 326.07715 172.5
[M+K]+ 347.00649 177.0
[M-H]- 307.03605 168.5
[M+Na-2H]- 329.01800 171.1
[M]+ 308.04278 169.1
[M]- 308.04388 169.1
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