CID 3059222

76239-55-9

Structural Information

Molecular Formula
C15H16N4O3
SMILES
CCCCOC1=CC(=CC2=C1OC(=O)C(=C2)C3=NNN=N3)C
InChI
InChI=1S/C15H16N4O3/c1-3-4-5-21-12-7-9(2)6-10-8-11(14-16-18-19-17-14)15(20)22-13(10)12/h6-8H,3-5H2,1-2H3,(H,16,17,18,19)
InChIKey
YMRGCJMGQCJUMV-UHFFFAOYSA-N
Compound name
8-butoxy-6-methyl-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

300.12225 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.129526 169.5
[M+Na]+ 323.111468 181.3
[M-H]- 299.114974 172.4
[M+NH4]+ 318.156073 180.4
[M+K]+ 339.085408 176.7
[M+H-H2O]+ 283.119510 159.6
[M+HCOO]- 345.120451 188.2
[M+CH3COO]- 359.136101 180.9
[M+Na-2H]- 321.096916 174.9
[M]+ 300.12170142 175.6
[M]- 300.12279858 175.6
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