CID 3059218

76239-48-0

Structural Information

Molecular Formula
C16H16N4O3
SMILES
CC(=CCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=NNN=N3)OC)C
InChI
InChI=1S/C16H16N4O3/c1-9(2)4-5-10-6-11-7-12(15-17-19-20-18-15)16(21)23-14(11)8-13(10)22-3/h4,6-8H,5H2,1-3H3,(H,17,18,19,20)
InChIKey
GBCFSIFOKAHKMO-UHFFFAOYSA-N
Compound name
7-methoxy-6-(3-methylbut-2-enyl)-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

312.12225 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12953 173.5
[M+Na]+ 335.11147 184.9
[M-H]- 311.11497 176.5
[M+NH4]+ 330.15607 183.8
[M+K]+ 351.08541 180.0
[M+H-H2O]+ 295.11951 163.8
[M+HCOO]- 357.12045 191.1
[M+CH3COO]- 371.13610 184.5
[M+Na-2H]- 333.09692 177.3
[M]+ 312.12170 178.6
[M]- 312.12280 178.6
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