CID 336384

78439-73-3

Structural Information

Molecular Formula
C19H12N2O6
SMILES
COC1=C2C(=C(C3=C1OC=C3)N=CC4=CC=C(C=C4)[N+](=O)[O-])C=CC(=O)O2
InChI
InChI=1S/C19H12N2O6/c1-25-19-17-14(8-9-26-17)16(13-6-7-15(22)27-18(13)19)20-10-11-2-4-12(5-3-11)21(23)24/h2-10H,1H3
InChIKey
KGOYWTIRYPAGTJ-UHFFFAOYSA-N
Compound name
9-methoxy-4-[(4-nitrophenyl)methylideneamino]furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.06955 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.07683 181.6
[M+Na]+ 387.05877 191.1
[M-H]- 363.06227 194.0
[M+NH4]+ 382.10337 194.4
[M+K]+ 403.03271 185.6
[M+H-H2O]+ 347.06681 177.4
[M+HCOO]- 409.06775 207.8
[M+CH3COO]- 423.08340 213.9
[M+Na-2H]- 385.04422 191.5
[M]+ 364.06900 188.7
[M]- 364.07010 188.7
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.