CID 135513578

Dtxsid701041193

Structural Information

Molecular Formula
C16H11N3O5
SMILES
CC1=CC(=O)OC2=CC(=C(C=C12)N=NC3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C16H11N3O5/c1-9-6-16(21)24-15-8-14(20)13(7-12(9)15)18-17-10-2-4-11(5-3-10)19(22)23/h2-8,20H,1H3
InChIKey
YUNIGOYUKSLAPE-UHFFFAOYSA-N
Compound name
7-hydroxy-4-methyl-6-[(4-nitrophenyl)diazenyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0699 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.07718 170.1
[M+Na]+ 348.05912 178.4
[M-H]- 324.06262 180.7
[M+NH4]+ 343.10372 183.0
[M+K]+ 364.03306 172.5
[M+H-H2O]+ 308.06716 165.2
[M+HCOO]- 370.06810 197.6
[M+CH3COO]- 384.08375 209.9
[M+Na-2H]- 346.04457 180.2
[M]+ 325.06935 172.9
[M]- 325.07045 172.9
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.