CID 3059202

76239-31-1

Structural Information

Molecular Formula
C15H16N4O3
SMILES
CC(C)CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C15H16N4O3/c1-9(2)6-7-21-12-5-3-4-10-8-11(14-16-18-19-17-14)15(20)22-13(10)12/h3-5,8-9H,6-7H2,1-2H3,(H,16,17,18,19)
InChIKey
CPDXABQMCZMDKE-UHFFFAOYSA-N
Compound name
8-(3-methylbutoxy)-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

300.12225 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12953 168.0
[M+Na]+ 323.11147 182.9
[M+NH4]+ 318.15607 173.5
[M+K]+ 339.08541 179.2
[M-H]- 299.11497 170.2
[M+Na-2H]- 321.09692 174.2
[M]+ 300.12170 170.7
[M]- 300.12280 170.7
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