CID 357011

Nsc614580

Structural Information

Molecular Formula
C14H9NO6
SMILES
CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C=CO3)C)[N+](=O)[O-]
InChI
InChI=1S/C14H9NO6/c1-6-8-5-9-10(16)3-4-20-12(9)7(2)13(8)21-14(17)11(6)15(18)19/h3-5H,1-2H3
InChIKey
QECQHSACLUIYGJ-UHFFFAOYSA-N
Compound name
4,10-dimethyl-3-nitropyrano[3,2-g]chromene-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.043 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05028 157.3
[M+Na]+ 310.03222 169.8
[M-H]- 286.03572 166.2
[M+NH4]+ 305.07682 172.3
[M+K]+ 326.00616 165.0
[M+H-H2O]+ 270.04026 154.5
[M+HCOO]- 332.04120 181.0
[M+CH3COO]- 346.05685 197.6
[M+Na-2H]- 308.01767 168.8
[M]+ 287.04245 164.5
[M]- 287.04355 164.5
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.