CID 381155

Nsc667473

Structural Information

Molecular Formula
C20H15NO4
SMILES
COC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H15NO4/c1-24-18-11-5-8-14-12-17(21(22)23)20(25-19(14)18)16-10-4-7-13-6-2-3-9-15(13)16/h2-12,20H,1H3
InChIKey
PRGUAJTYXMEDET-UHFFFAOYSA-N
Compound name
8-methoxy-2-naphthalen-1-yl-3-nitro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1001 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10738 175.6
[M+Na]+ 356.08932 182.3
[M-H]- 332.09282 184.6
[M+NH4]+ 351.13392 188.6
[M+K]+ 372.06326 175.0
[M+H-H2O]+ 316.09736 170.5
[M+HCOO]- 378.09830 195.9
[M+CH3COO]- 392.11395 206.7
[M+Na-2H]- 354.07477 184.4
[M]+ 333.09955 176.2
[M]- 333.10065 176.2
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.