CID 3059197

8-ethoxy-3-(1h-tetrazol-5-yl)coumarin

Structural Information

Molecular Formula
C12H10N4O3
SMILES
CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C12H10N4O3/c1-2-18-9-5-3-4-7-6-8(11-13-15-16-14-11)12(17)19-10(7)9/h3-6H,2H2,1H3,(H,13,14,15,16)
InChIKey
DZEXGGCYFBFCSJ-UHFFFAOYSA-N
Compound name
8-ethoxy-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.0753 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08258 154.9
[M+Na]+ 281.06452 167.2
[M-H]- 257.06802 157.9
[M+NH4]+ 276.10912 167.3
[M+K]+ 297.03846 163.3
[M+H-H2O]+ 241.07256 145.4
[M+HCOO]- 303.07350 174.8
[M+CH3COO]- 317.08915 167.4
[M+Na-2H]- 279.04997 162.7
[M]+ 258.07475 159.6
[M]- 258.07585 159.6
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