CID 3059215

2h-1-benzopyran-2-one, 6-methoxy-7-methyl-

Structural Information

Molecular Formula
C12H10N4O3
SMILES
CC1=CC2=C(C=C(C(=O)O2)C3=NNN=N3)C=C1OC
InChI
InChI=1S/C12H10N4O3/c1-6-3-10-7(5-9(6)18-2)4-8(12(17)19-10)11-13-15-16-14-11/h3-5H,1-2H3,(H,13,14,15,16)
InChIKey
KUOWFQVKRSRYPA-UHFFFAOYSA-N
Compound name
6-methoxy-7-methyl-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.0753 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08258 155.4
[M+Na]+ 281.06452 171.7
[M+NH4]+ 276.10912 161.6
[M+K]+ 297.03846 168.0
[M-H]- 257.06802 158.0
[M+Na-2H]- 279.04997 162.4
[M]+ 258.07475 158.5
[M]- 258.07585 158.5
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

patents stripe