CID 5380

Tazanolast

Structural Information

Molecular Formula
C13H15N5O3
SMILES
CCCCOC(=O)C(=O)NC1=CC=CC(=C1)C2=NNN=N2
InChI
InChI=1S/C13H15N5O3/c1-2-3-7-21-13(20)12(19)14-10-6-4-5-9(8-10)11-15-17-18-16-11/h4-6,8H,2-3,7H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKey
XQTARQNQIVVBRX-UHFFFAOYSA-N
Compound name
butyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1621
Patents

289.1175 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12478 165.4
[M+Na]+ 312.10672 171.8
[M-H]- 288.11022 165.8
[M+NH4]+ 307.15132 175.9
[M+K]+ 328.08066 168.3
[M+H-H2O]+ 272.11476 155.1
[M+HCOO]- 334.11570 184.2
[M+CH3COO]- 348.13135 197.9
[M+Na-2H]- 310.09217 168.7
[M]+ 289.11695 166.1
[M]- 289.11805 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe