CID 3025530

103876-50-2

Structural Information

Molecular Formula
C14H12N4O5
SMILES
C1=CC2=C(C=C1OCCCC(=O)O)C=C(C(=O)O2)C3=NNN=N3
InChI
InChI=1S/C14H12N4O5/c19-12(20)2-1-5-22-9-3-4-11-8(6-9)7-10(14(21)23-11)13-15-17-18-16-13/h3-4,6-7H,1-2,5H2,(H,19,20)(H,15,16,17,18)
InChIKey
RGIJGAGHEILQIE-UHFFFAOYSA-N
Compound name
4-[2-oxo-3-(2H-tetrazol-5-yl)chromen-6-yl]oxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

No literature data available for this compound.

Patent stripe

patents stripe