CID 3067222

80916-80-9

Structural Information

Molecular Formula
C13H12N4O4
SMILES
COCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C13H12N4O4/c1-19-5-6-20-10-4-2-3-8-7-9(12-14-16-17-15-12)13(18)21-11(8)10/h2-4,7H,5-6H2,1H3,(H,14,15,16,17)
InChIKey
WRUXSVNIFXMCMP-UHFFFAOYSA-N
Compound name
8-(2-methoxyethoxy)-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

288.08585 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09313 161.8
[M+Na]+ 311.07507 173.3
[M-H]- 287.07857 164.6
[M+NH4]+ 306.11967 172.7
[M+K]+ 327.04901 169.8
[M+H-H2O]+ 271.08311 151.9
[M+HCOO]- 333.08405 181.4
[M+CH3COO]- 347.09970 173.6
[M+Na-2H]- 309.06052 169.1
[M]+ 288.08530 168.1
[M]- 288.08640 168.1
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

patents stripe