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
3
Annotation Hits

38
References

1795
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 164.6
[M+Na]+ 331.03255 177.4
[M-H]- 307.03605 167.9
[M+NH4]+ 326.07715 177.0
[M+K]+ 347.00649 172.7
[M+H-H2O]+ 291.04059 155.7
[M+HCOO]- 353.04153 180.9
[M+CH3COO]- 367.05718 176.3
[M+Na-2H]- 329.01800 174.4
[M]+ 308.04278 168.8
[M]- 308.04388 168.8
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

No patent data available for this compound.