CID 208860

103876-53-5

Structural Information

Molecular Formula
C16H16N4O5
SMILES
C1=CC2=C(C=C1OCCCCCC(=O)O)C=C(C(=O)O2)C3=NNN=N3
InChI
InChI=1S/C16H16N4O5/c21-14(22)4-2-1-3-7-24-11-5-6-13-10(8-11)9-12(16(23)25-13)15-17-19-20-18-15/h5-6,8-9H,1-4,7H2,(H,21,22)(H,17,18,19,20)
InChIKey
RAUYALIBIJQRKH-UHFFFAOYSA-N
Compound name
6-[2-oxo-3-(2H-tetrazol-5-yl)chromen-6-yl]oxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

344.11206 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.119336 177.0
[M+Na]+ 367.101278 186.3
[M-H]- 343.104784 178.2
[M+NH4]+ 362.145883 184.6
[M+K]+ 383.075218 182.1
[M+H-H2O]+ 327.109320 166.8
[M+HCOO]- 389.110261 193.4
[M+CH3COO]- 403.125911 205.2
[M+Na-2H]- 365.086726 181.5
[M]+ 344.11151142 182.6
[M]- 344.11260858 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