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 177.0
[M+Na]+ 367.10128 186.3
[M-H]- 343.10478 178.2
[M+NH4]+ 362.14588 184.6
[M+K]+ 383.07522 182.1
[M+H-H2O]+ 327.10932 166.8
[M+HCOO]- 389.11026 193.4
[M+CH3COO]- 403.12591 205.2
[M+Na-2H]- 365.08673 181.5
[M]+ 344.11151 182.6
[M]- 344.11261 182.6
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