CID 5465232

Nsc642058

Structural Information

Molecular Formula
C18H14N2O7
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2)O)C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]
InChI
InChI=1S/C18H14N2O7/c1-9-16(22)12-5-3-10(21)7-15(12)27-17(9)18(23)19-13-6-4-11(26-2)8-14(13)20(24)25/h3-8,21H,1-2H3,(H,19,23)
InChIKey
DOVKYDWWMKJBQG-UHFFFAOYSA-N
Compound name
7-hydroxy-N-(4-methoxy-2-nitrophenyl)-3-methyl-4-oxochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.0801 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.08738 181.2
[M+Na]+ 393.06932 188.5
[M-H]- 369.07282 189.1
[M+NH4]+ 388.11392 191.0
[M+K]+ 409.04326 182.8
[M+H-H2O]+ 353.07736 176.6
[M+HCOO]- 415.07830 203.2
[M+CH3COO]- 429.09395 212.7
[M+Na-2H]- 391.05477 187.7
[M]+ 370.07955 184.3
[M]- 370.08065 184.3
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.