CID 392255

Nsc692396

Structural Information

Molecular Formula
C18H15NO4
SMILES
CN1C(=O)C2=CC=CC=C2OC13C=CC4=C(O3)C(=CC=C4)OC
InChI
InChI=1S/C18H15NO4/c1-19-17(20)13-7-3-4-8-14(13)22-18(19)11-10-12-6-5-9-15(21-2)16(12)23-18/h3-11H,1-2H3
InChIKey
KWTRAYHFLDVWII-UHFFFAOYSA-N
Compound name
8'-methoxy-3-methylspiro[1,3-benzoxazine-2,2'-chromene]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1001 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 169.7
[M+Na]+ 332.08932 179.9
[M-H]- 308.09282 177.5
[M+NH4]+ 327.13392 184.8
[M+K]+ 348.06326 178.1
[M+H-H2O]+ 292.09736 160.0
[M+HCOO]- 354.09830 185.3
[M+CH3COO]- 368.11395 181.5
[M+Na-2H]- 330.07477 178.4
[M]+ 309.09955 172.4
[M]- 309.10065 172.4
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.