CID 3067232

80916-90-1

Structural Information

Molecular Formula
C18H14N4O4
SMILES
C1=CC=C(C=C1)OCCOC2=CC=CC3=C2OC(=O)C(=C3)C4=NNN=N4
InChI
InChI=1S/C18H14N4O4/c23-18-14(17-19-21-22-20-17)11-12-5-4-8-15(16(12)26-18)25-10-9-24-13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H,19,20,21,22)
InChIKey
LNRPOCCRGUTYRK-UHFFFAOYSA-N
Compound name
8-(2-phenoxyethoxy)-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

350.1015 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10878 178.3
[M+Na]+ 373.09072 188.6
[M-H]- 349.09422 184.0
[M+NH4]+ 368.13532 185.9
[M+K]+ 389.06466 183.5
[M+H-H2O]+ 333.09876 166.6
[M+HCOO]- 395.09970 197.2
[M+CH3COO]- 409.11535 188.6
[M+Na-2H]- 371.07617 185.2
[M]+ 350.10095 183.4
[M]- 350.10205 183.4
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