CID 9904325

Fc9n8a7tgl

Structural Information

Molecular Formula
C15H14N4O3
SMILES
CC1(CN(C2=CC3=NON=C3C=C2O1)C4=CC=CC=[N+]4[O-])C
InChI
InChI=1S/C15H14N4O3/c1-15(2)9-18(14-5-3-4-6-19(14)20)12-7-10-11(17-22-16-10)8-13(12)21-15/h3-8H,9H2,1-2H3
InChIKey
RIBUWYJTGSWAGJ-UHFFFAOYSA-N
Compound name
6,6-dimethyl-8-(1-oxidopyridin-1-ium-2-yl)-7H-[1,2,5]oxadiazolo[3,4-g][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

47
Patents

298.1066 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.113876 167.1
[M+Na]+ 321.095818 178.0
[M-H]- 297.099324 171.5
[M+NH4]+ 316.140423 178.9
[M+K]+ 337.069758 170.5
[M+H-H2O]+ 281.103860 161.2
[M+HCOO]- 343.104801 182.0
[M+CH3COO]- 357.120451 193.2
[M+Na-2H]- 319.081266 177.1
[M]+ 298.10605142 168.3
[M]- 298.10714858 168.3
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.