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]+ 310.107376 169.7
[M+Na]+ 332.089318 179.9
[M-H]- 308.092824 177.5
[M+NH4]+ 327.133923 184.8
[M+K]+ 348.063258 178.1
[M+H-H2O]+ 292.097360 160.0
[M+HCOO]- 354.098301 185.3
[M+CH3COO]- 368.113951 181.5
[M+Na-2H]- 330.074766 178.4
[M]+ 309.09955142 172.4
[M]- 309.10064858 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.