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
3
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]+ 349.10436 177.1
[M+Na]+ 371.08630 186.9
[M-H]- 347.08980 181.3
[M+NH4]+ 366.13090 184.3
[M+K]+ 387.06024 180.0
[M+H-H2O]+ 331.09434 165.2
[M+HCOO]- 393.09528 196.0
[M+CH3COO]- 407.11093 186.6
[M+Na-2H]- 369.07175 184.3
[M]+ 348.09653 178.6
[M]- 348.09763 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.