CID 455819

Chembl338083

Structural Information

Molecular Formula
C14H13N3O4
SMILES
CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)N=[N+]=[N-])O)C
InChI
InChI=1S/C14H13N3O4/c1-14(2)13(19)11(16-17-15)10-8(21-14)5-3-7-4-6-9(18)20-12(7)10/h3-6,11,13,19H,1-2H3
InChIKey
WGORJBPGNNZISJ-UHFFFAOYSA-N
Compound name
10-azido-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.0906 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09788 159.8
[M+Na]+ 310.07982 169.0
[M-H]- 286.08332 168.4
[M+NH4]+ 305.12442 176.6
[M+K]+ 326.05376 163.6
[M+H-H2O]+ 270.08786 156.8
[M+HCOO]- 332.08880 183.4
[M+CH3COO]- 346.10445 203.2
[M+Na-2H]- 308.06527 172.7
[M]+ 287.09005 160.8
[M]- 287.09115 160.8
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

No patent data available for this compound.