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

5
Patents

300.12225 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12953 169.5
[M+Na]+ 323.11147 181.3
[M-H]- 299.11497 172.4
[M+NH4]+ 318.15607 180.4
[M+K]+ 339.08541 176.7
[M+H-H2O]+ 283.11951 159.6
[M+HCOO]- 345.12045 188.2
[M+CH3COO]- 359.13610 180.9
[M+Na-2H]- 321.09692 174.9
[M]+ 300.12170 175.6
[M]- 300.12280 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