CID 3059211

76239-41-3

Structural Information

Molecular Formula
C14H14N4O3
SMILES
CCCOC1=CC(=CC2=C1OC(=O)C(=C2)C3=NNN=N3)C
InChI
InChI=1S/C14H14N4O3/c1-3-4-20-11-6-8(2)5-9-7-10(13-15-17-18-16-13)14(19)21-12(9)11/h5-7H,3-4H2,1-2H3,(H,15,16,17,18)
InChIKey
MSJCXIFLFBVMJN-UHFFFAOYSA-N
Compound name
6-methyl-8-propoxy-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

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11388 165.0
[M+Na]+ 309.09582 177.3
[M-H]- 285.09932 168.0
[M+NH4]+ 304.14042 176.5
[M+K]+ 325.06976 172.8
[M+H-H2O]+ 269.10386 155.3
[M+HCOO]- 331.10480 184.1
[M+CH3COO]- 345.12045 176.8
[M+Na-2H]- 307.08127 170.9
[M]+ 286.10605 170.8
[M]- 286.10715 170.8
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