CID 142608436

2219375-03-6

Structural Information

Molecular Formula

C₁₁H₁₃ClN₄

SMILES

CN1C2=C(C=N1)N=C(C=C2N3CCCC3)Cl

InChI

InChI=1S/C11H13ClN4/c1-15-11-8(7-13-15)14-10(12)6-9(11)16-4-2-3-5-16/h6-7H,2-5H2,1H3

InChIKey

PDRVFBAUHDHTHZ-UHFFFAOYSA-N

Compound name

5-chloro-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 236.08287 Da
Monoisotopic Mass: 2.2
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]+	237.09015	152.3
[M+Na]+	259.07209	163.8
[M-H]-	235.07559	155.1
[M+NH4]+	254.11669	170.3
[M+K]+	275.04603	158.6
[M+H-H2O]+	219.08013	143.0
[M+HCOO]-	281.08107	167.4
[M+CH3COO]-	295.09672	164.7
[M+Na-2H]-	257.05754	154.7
[M]+	236.08232	154.2
[M]-	236.08342	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe