CID 489128

186829-19-6

Structural Information

Molecular Formula

C₁₄H₁₄ClN₃O

SMILES

C1CCN2C(=C(C(=C2C3=CN=CC=C3)Cl)C(=O)N)C1

InChI

InChI=1S/C14H14ClN3O/c15-12-11(14(16)19)10-5-1-2-7-18(10)13(12)9-4-3-6-17-8-9/h3-4,6,8H,1-2,5,7H2,(H2,16,19)

InChIKey

KNGXENHWYNLKBU-UHFFFAOYSA-N

Compound name

2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 32
Patents: 275.08255 Da
Monoisotopic Mass: 1.5
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]+	276.089826	162.2
[M+Na]+	298.071768	170.7
[M-H]-	274.075274	166.5
[M+NH4]+	293.116373	178.7
[M+K]+	314.045708	164.6
[M+H-H2O]+	258.079810	154.1
[M+HCOO]-	320.080751	176.7
[M+CH3COO]-	334.096401	173.3
[M+Na-2H]-	296.057216	164.1
[M]+	275.08200142	160.7
[M]-	275.08309858	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe