CID 499977

5-methoxy-8-methyl-2,6-dioxo-pyrano[3,2-g]chromene-3-carbohydrazide

Structural Information

Molecular Formula
C15H12N2O6
SMILES
CC1=CC(=O)C2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C(=O)NN
InChI
InChI=1S/C15H12N2O6/c1-6-3-9(18)12-11(22-6)5-10-7(13(12)21-2)4-8(14(19)17-16)15(20)23-10/h3-5H,16H2,1-2H3,(H,17,19)
InChIKey
AQFZJKRTAROKPY-UHFFFAOYSA-N
Compound name
5-methoxy-8-methyl-2,6-dioxopyrano[3,2-g]chromene-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06955 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07683 168.7
[M+Na]+ 339.05877 180.9
[M-H]- 315.06227 177.0
[M+NH4]+ 334.10337 182.4
[M+K]+ 355.03271 180.6
[M+H-H2O]+ 299.06681 160.7
[M+HCOO]- 361.06775 192.1
[M+CH3COO]- 375.08340 213.5
[M+Na-2H]- 337.04422 176.7
[M]+ 316.06900 176.7
[M]- 316.07010 176.7
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.