CID 3022234

Brn 4715696

Structural Information

Molecular Formula
C14H12N4O4
SMILES
COC1=CC=CC=C1C2=CC=C(O2)C3=NN=NN3CC(=O)O
InChI
InChI=1S/C14H12N4O4/c1-21-10-5-3-2-4-9(10)11-6-7-12(22-11)14-15-16-17-18(14)8-13(19)20/h2-7H,8H2,1H3,(H,19,20)
InChIKey
PHCVYDLEBSSIRG-UHFFFAOYSA-N
Compound name
2-[5-[5-(2-methoxyphenyl)furan-2-yl]tetrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.08585 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09313 163.3
[M+Na]+ 323.07507 173.6
[M-H]- 299.07857 169.1
[M+NH4]+ 318.11967 174.2
[M+K]+ 339.04901 171.2
[M+H-H2O]+ 283.08311 153.7
[M+HCOO]- 345.08405 184.1
[M+CH3COO]- 359.09970 175.3
[M+Na-2H]- 321.06052 165.7
[M]+ 300.08530 168.9
[M]- 300.08640 168.9
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