CID 3059212

76239-42-4

Structural Information

Molecular Formula
C14H14N4O3
SMILES
CC1=CC2=C(C(=C1)OC(C)C)OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C14H14N4O3/c1-7(2)20-11-5-8(3)4-9-6-10(13-15-17-18-16-13)14(19)21-12(9)11/h4-7H,1-3H3,(H,15,16,17,18)
InChIKey
YEHLDZJUKQHACA-UHFFFAOYSA-N
Compound name
6-methyl-8-propan-2-yloxy-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

286.1066 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11388 164.0
[M+Na]+ 309.09582 179.4
[M+NH4]+ 304.14042 169.7
[M+K]+ 325.06976 176.1
[M-H]- 285.09932 166.3
[M+Na-2H]- 307.08127 170.2
[M]+ 286.10605 166.8
[M]- 286.10715 166.8
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