CID 3022232

Brn 4710265

Structural Information

Molecular Formula
C14H12N4O3
SMILES
CC1=CC(=CC=C1)C2=CC=C(O2)C3=NN=NN3CC(=O)O
InChI
InChI=1S/C14H12N4O3/c1-9-3-2-4-10(7-9)11-5-6-12(21-11)14-15-16-17-18(14)8-13(19)20/h2-7H,8H2,1H3,(H,19,20)
InChIKey
KBMPCIIFQMNVED-UHFFFAOYSA-N
Compound name
2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09094 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.098216 161.0
[M+Na]+ 307.080158 171.6
[M-H]- 283.083664 166.8
[M+NH4]+ 302.124763 172.7
[M+K]+ 323.054098 168.5
[M+H-H2O]+ 267.088200 151.6
[M+HCOO]- 329.089141 181.7
[M+CH3COO]- 343.104791 173.2
[M+Na-2H]- 305.065606 163.3
[M]+ 284.09039142 165.4
[M]- 284.09148858 165.4
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