CID 362321

Nsc625957

Structural Information

Molecular Formula
C19H15NO6
SMILES
CC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C19H15NO6/c1-9-4-5-12(7-14(9)20(24)25)16-8-15(21)13-6-10(2)11(3)17(19(22)23)18(13)26-16/h4-8H,1-3H3,(H,22,23)
InChIKey
QYGSQZMOUFCIHZ-UHFFFAOYSA-N
Compound name
6,7-dimethyl-2-(4-methyl-3-nitrophenyl)-4-oxochromene-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.08994 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09722 179.1
[M+Na]+ 376.07916 188.2
[M-H]- 352.08266 187.4
[M+NH4]+ 371.12376 190.5
[M+K]+ 392.05310 181.6
[M+H-H2O]+ 336.08720 175.3
[M+HCOO]- 398.08814 199.7
[M+CH3COO]- 412.10379 210.1
[M+Na-2H]- 374.06461 183.5
[M]+ 353.08939 182.5
[M]- 353.09049 182.5
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.