CID 3067227

80916-85-4

Structural Information

Molecular Formula
C16H18N4O4
SMILES
CC(C)COCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C16H18N4O4/c1-10(2)9-22-6-7-23-13-5-3-4-11-8-12(15-17-19-20-18-15)16(21)24-14(11)13/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,18,19,20)
InChIKey
IKRFXOLDWNDWIQ-UHFFFAOYSA-N
Compound name
8-[2-(2-methylpropoxy)ethoxy]-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

330.1328 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14008 175.6
[M+Na]+ 353.12202 189.8
[M+NH4]+ 348.16662 180.3
[M+K]+ 369.09596 186.4
[M-H]- 329.12552 177.3
[M+Na-2H]- 351.10747 181.1
[M]+ 330.13225 178.0
[M]- 330.13335 178.0
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