CID 3569296

19747-13-8

Structural Information

Molecular Formula
C14H10N4O3
SMILES
C1=CC=C(C=C1)C2=NN=NN2C(=CC3=CC=CO3)C(=O)O
InChI
InChI=1S/C14H10N4O3/c19-14(20)12(9-11-7-4-8-21-11)18-13(15-16-17-18)10-5-2-1-3-6-10/h1-9H,(H,19,20)
InChIKey
YVQAGBCKIDNFLC-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0753 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08258 160.0
[M+Na]+ 305.06452 172.9
[M+NH4]+ 300.10912 164.9
[M+K]+ 321.03846 172.6
[M-H]- 281.06802 162.4
[M+Na-2H]- 303.04997 167.7
[M]+ 282.07475 162.2
[M]- 282.07585 162.2
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

No patent data available for this compound.