CID 208857

103876-54-6

Structural Information

Molecular Formula
C16H16N4O5
SMILES
C1=CC2=C(C=C(C(=O)O2)C3=NNN=N3)C(=C1)OCCCCCC(=O)O
InChI
InChI=1S/C16H16N4O5/c21-14(22)7-2-1-3-8-24-12-5-4-6-13-10(12)9-11(16(23)25-13)15-17-19-20-18-15/h4-6,9H,1-3,7-8H2,(H,21,22)(H,17,18,19,20)
InChIKey
BBVFZIRSDSZYND-UHFFFAOYSA-N
Compound name
6-[2-oxo-3-(2H-tetrazol-5-yl)chromen-5-yl]oxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

344.11206 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11934 178.3
[M+Na]+ 367.10128 191.4
[M+NH4]+ 362.14588 181.8
[M+K]+ 383.07522 188.9
[M-H]- 343.10478 178.8
[M+Na-2H]- 365.08673 182.6
[M]+ 344.11151 180.0
[M]- 344.11261 180.0
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