CID 16347

Cintazone

Structural Information

Molecular Formula

C₂₂H₂₂N₂O₂

SMILES

CCCCCC1C(=O)N2C=C(C3=CC=CC=C3N2C1=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O2/c1-2-3-5-13-18-21(25)23-15-19(16-10-6-4-7-11-16)17-12-8-9-14-20(17)24(23)22(18)26/h4,6-12,14-15,18H,2-3,5,13H2,1H3

InChIKey

KATBVKFXGKGUFE-UHFFFAOYSA-N

Compound name

2-pentyl-6-phenylpyrazolo[1,2-a]cinnoline-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 3777
Patents: 346.16812 Da
Monoisotopic Mass: 6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	347.17540	185.8
[M+Na]+	369.15734	194.2
[M-H]-	345.16084	191.3
[M+NH4]+	364.20194	200.2
[M+K]+	385.13128	187.2
[M+H-H2O]+	329.16538	175.9
[M+HCOO]-	391.16632	202.7
[M+CH3COO]-	405.18197	195.7
[M+Na-2H]-	367.14279	186.7
[M]+	346.16757	187.1
[M]-	346.16867	187.1

Literature stripe

literature stripe

Patent stripe

patents stripe