CID 68784

Traxanox

Structural Information

Molecular Formula
C13H6ClN5O2
SMILES
C1=CC2=C(N=C1)OC3=C(C2=O)C=C(C=C3Cl)C4=NNN=N4
InChI
InChI=1S/C13H6ClN5O2/c14-9-5-6(12-16-18-19-17-12)4-8-10(20)7-2-1-3-15-13(7)21-11(8)9/h1-5H,(H,16,17,18,19)
InChIKey
MLCGWPUVZKTVLO-UHFFFAOYSA-N
Compound name
9-chloro-7-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

1695
Patents

299.021 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.02828 164.2
[M+Na]+ 322.01022 179.0
[M-H]- 298.01372 166.8
[M+NH4]+ 317.05482 175.3
[M+K]+ 337.98416 172.0
[M+H-H2O]+ 282.01826 153.8
[M+HCOO]- 344.01920 176.8
[M+CH3COO]- 358.03485 175.8
[M+Na-2H]- 319.99567 172.4
[M]+ 299.02045 169.4
[M]- 299.02155 169.4
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