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

3
Patents

300.12225 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.129526 168.7
[M+Na]+ 323.111468 179.3
[M-H]- 299.114974 171.4
[M+NH4]+ 318.156073 179.2
[M+K]+ 339.085408 175.2
[M+H-H2O]+ 283.119510 158.8
[M+HCOO]- 345.120451 186.5
[M+CH3COO]- 359.136101 179.7
[M+Na-2H]- 321.096916 173.8
[M]+ 300.12170142 173.8
[M]- 300.12279858 173.8
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