CID 3067224

80916-82-1

Structural Information

Molecular Formula
C15H16N4O4
SMILES
CCCOCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C15H16N4O4/c1-2-6-21-7-8-22-12-5-3-4-10-9-11(14-16-18-19-17-14)15(20)23-13(10)12/h3-5,9H,2,6-8H2,1H3,(H,16,17,18,19)
InChIKey
VOUHAUSHHVQTPZ-UHFFFAOYSA-N
Compound name
8-(2-propoxyethoxy)-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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.124436 170.7
[M+Na]+ 339.106378 181.3
[M-H]- 315.109884 173.2
[M+NH4]+ 334.150983 180.5
[M+K]+ 355.080318 177.4
[M+H-H2O]+ 299.114420 160.4
[M+HCOO]- 361.115361 189.6
[M+CH3COO]- 375.131011 181.6
[M+Na-2H]- 337.091826 177.0
[M]+ 316.11661142 177.7
[M]- 316.11770858 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