CID 65871

Quinotolast

Structural Information

Molecular Formula
C17H12N6O3
SMILES
C1=CC=C(C=C1)OC2=C3C=CC=CN3C(=O)C(=C2)C(=O)NC4=NNN=N4
InChI
InChI=1S/C17H12N6O3/c24-15(18-17-19-21-22-20-17)12-10-14(26-11-6-2-1-3-7-11)13-8-4-5-9-23(13)16(12)25/h1-10H,(H2,18,19,20,21,22,24)
InChIKey
ZUPLNRDTYQWUHP-UHFFFAOYSA-N
Compound name
4-oxo-1-phenoxy-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

92
Patents

348.09708 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.104356 177.1
[M+Na]+ 371.086298 186.9
[M-H]- 347.089804 181.3
[M+NH4]+ 366.130903 184.3
[M+K]+ 387.060238 180.0
[M+H-H2O]+ 331.094340 165.2
[M+HCOO]- 393.095281 196.0
[M+CH3COO]- 407.110931 186.6
[M+Na-2H]- 369.071746 184.3
[M]+ 348.09653142 178.6
[M]- 348.09762858 178.6
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