CID 3067230

80916-88-7

Structural Information

Molecular Formula
C15H14N4O4
SMILES
C=CCOCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C15H14N4O4/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/h2-5,9H,1,6-8H2,(H,16,17,18,19)
InChIKey
CJMQNDLHXVWERS-UHFFFAOYSA-N
Compound name
8-(2-prop-2-enoxyethoxy)-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

314.1015 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10878 170.0
[M+Na]+ 337.09072 180.9
[M-H]- 313.09422 172.5
[M+NH4]+ 332.13532 179.7
[M+K]+ 353.06466 176.3
[M+H-H2O]+ 297.09876 159.7
[M+HCOO]- 359.09970 189.1
[M+CH3COO]- 373.11535 180.9
[M+Na-2H]- 335.07617 176.3
[M]+ 314.10095 176.3
[M]- 314.10205 176.3
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