CID 499976

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

Structural Information

Molecular Formula
C15H13N3O5
SMILES
CC1=CC(=O)C2=C(O1)C=C3C(=C2OC)C=C(C(=N)O3)C(=O)NN
InChI
InChI=1S/C15H13N3O5/c1-6-3-9(19)12-11(22-6)5-10-7(13(12)21-2)4-8(14(16)23-10)15(20)18-17/h3-5,16H,17H2,1-2H3,(H,18,20)
InChIKey
WUEQIBXMYWATET-UHFFFAOYSA-N
Compound name
2-imino-5-methoxy-8-methyl-6-oxopyrano[3,2-g]chromene-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0855 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09278 171.1
[M+Na]+ 338.07472 182.7
[M-H]- 314.07822 179.4
[M+NH4]+ 333.11932 184.6
[M+K]+ 354.04866 181.7
[M+H-H2O]+ 298.08276 162.9
[M+HCOO]- 360.08370 195.3
[M+CH3COO]- 374.09935 216.6
[M+Na-2H]- 336.06017 179.4
[M]+ 315.08495 177.1
[M]- 315.08605 177.1
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.