CID 3067228

80916-86-5

Structural Information

Molecular Formula
C15H16N4O4
SMILES
CCOCCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C15H16N4O4/c1-2-21-7-4-8-22-12-6-3-5-10-9-11(14-16-18-19-17-14)15(20)23-13(10)12/h3,5-6,9H,2,4,7-8H2,1H3,(H,16,17,18,19)
InChIKey
PGCPUELHMDVHLL-UHFFFAOYSA-N
Compound name
8-(3-ethoxypropoxy)-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

316.11716 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12444 170.7
[M+Na]+ 339.10638 181.3
[M-H]- 315.10988 173.2
[M+NH4]+ 334.15098 180.5
[M+K]+ 355.08032 177.4
[M+H-H2O]+ 299.11442 160.4
[M+HCOO]- 361.11536 189.6
[M+CH3COO]- 375.13101 181.6
[M+Na-2H]- 337.09183 177.0
[M]+ 316.11661 177.7
[M]- 316.11771 177.7
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