CID 376994

Nsc658214

Structural Information

Molecular Formula
C16H11N3O3
SMILES
COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=CC=C3)N=[N+]=[N-]
InChI
InChI=1S/C16H11N3O3/c1-21-11-7-8-12-13(9-11)22-16(20)14(15(12)18-19-17)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
QTLPLKUPSSJBOB-UHFFFAOYSA-N
Compound name
4-azido-7-methoxy-3-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.08005 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08733 164.5
[M+Na]+ 316.06927 173.2
[M-H]- 292.07277 175.9
[M+NH4]+ 311.11387 179.5
[M+K]+ 332.04321 166.0
[M+H-H2O]+ 276.07731 159.5
[M+HCOO]- 338.07825 194.1
[M+CH3COO]- 352.09390 206.1
[M+Na-2H]- 314.05472 176.1
[M]+ 293.07950 166.4
[M]- 293.08060 166.4
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.