CID 348484

Evoxanthine

Structural Information

Molecular Formula
C16H13NO4
SMILES
CN1C2=CC=CC=C2C(=O)C3=C(C4=C(C=C31)OCO4)OC
InChI
InChI=1S/C16H13NO4/c1-17-10-6-4-3-5-9(10)14(18)13-11(17)7-12-15(16(13)19-2)21-8-20-12/h3-7H,8H2,1-2H3
InChIKey
ULBVHYNIDQSMFC-UHFFFAOYSA-N
Compound name
11-methoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.08447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09175 159.9
[M+Na]+ 306.07369 173.0
[M-H]- 282.07719 167.8
[M+NH4]+ 301.11829 177.4
[M+K]+ 322.04763 171.1
[M+H-H2O]+ 266.08173 153.0
[M+HCOO]- 328.08267 179.8
[M+CH3COO]- 342.09832 174.0
[M+Na-2H]- 304.05914 168.1
[M]+ 283.08392 167.9
[M]- 283.08502 167.9
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.