CID 364041

Nsc629658

Structural Information

Molecular Formula

C₁₇H₁₃ClN₄

SMILES

CN1C2=NC3=CC=CC=C3C(=C2C=N1)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H13ClN4/c1-22-17-14(10-19-22)16(13-4-2-3-5-15(13)21-17)20-12-8-6-11(18)7-9-12/h2-10H,1H3,(H,20,21)

InChIKey

XRAAYLBQQQPCRB-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]quinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 308.0829 Da
Monoisotopic Mass: 4.1
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]+	309.090176	170.2
[M+Na]+	331.072118	182.8
[M-H]-	307.075624	175.5
[M+NH4]+	326.116723	185.6
[M+K]+	347.046058	174.4
[M+H-H2O]+	291.080160	160.3
[M+HCOO]-	353.081101	187.4
[M+CH3COO]-	367.096751	182.0
[M+Na-2H]-	329.057566	177.6
[M]+	308.08235142	174.5
[M]-	308.08344858	174.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.