CID 3022236

Brn 4706663

Structural Information

Molecular Formula
C13H10N4O3
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)C3=NN=NN3CC(=O)O
InChI
InChI=1S/C13H10N4O3/c18-12(19)8-17-13(14-15-16-17)11-7-6-10(20-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)
InChIKey
ZISDBXVKQJALNK-UHFFFAOYSA-N
Compound name
2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

270.0753 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08258 155.9
[M+Na]+ 293.06452 166.1
[M-H]- 269.06802 161.4
[M+NH4]+ 288.10912 167.9
[M+K]+ 309.03846 163.2
[M+H-H2O]+ 253.07256 146.3
[M+HCOO]- 315.07350 176.9
[M+CH3COO]- 329.08915 168.2
[M+Na-2H]- 291.04997 159.4
[M]+ 270.07475 159.5
[M]- 270.07585 159.5
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