CID 124855

103876-49-9

Structural Information

Molecular Formula
C14H12N4O5
SMILES
C1=CC2=C(C(=C1)OCCCC(=O)O)OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C14H12N4O5/c19-11(20)5-2-6-22-10-4-1-3-8-7-9(13-15-17-18-16-13)14(21)23-12(8)10/h1,3-4,7H,2,5-6H2,(H,19,20)(H,15,16,17,18)
InChIKey
HUKUEPQBHMKXOV-UHFFFAOYSA-N
Compound name
4-[2-oxo-3-(2H-tetrazol-5-yl)chromen-8-yl]oxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

316.08078 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08806 169.5
[M+Na]+ 339.07000 183.0
[M+NH4]+ 334.11460 173.3
[M+K]+ 355.04394 180.9
[M-H]- 315.07350 170.0
[M+Na-2H]- 337.05545 174.3
[M]+ 316.08023 171.2
[M]- 316.08133 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe