CID 3059219

76239-49-1

Structural Information

Molecular Formula
C17H18N4O3
SMILES
CCOC1=C(C=C2C=C(C(=O)OC2=C1)C3=NNN=N3)CC=C(C)C
InChI
InChI=1S/C17H18N4O3/c1-4-23-14-9-15-12(7-11(14)6-5-10(2)3)8-13(17(22)24-15)16-18-20-21-19-16/h5,7-9H,4,6H2,1-3H3,(H,18,19,20,21)
InChIKey
ACJONDVTWOHKQG-UHFFFAOYSA-N
Compound name
7-ethoxy-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

326.13788 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14516 176.7
[M+Na]+ 349.12710 191.6
[M+NH4]+ 344.17170 181.6
[M+K]+ 365.10104 187.5
[M-H]- 325.13060 178.7
[M+Na-2H]- 347.11255 182.0
[M]+ 326.13733 179.3
[M]- 326.13843 179.3
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