CID 3069097

84332-04-7

Structural Information

Molecular Formula

C₁₄H₂₂N₄O₂

SMILES

CCN1CCCC1CNC(=O)C2=CN=C(C=C2OC)N

InChI

InChI=1S/C14H22N4O2/c1-3-18-6-4-5-10(18)8-17-14(19)11-9-16-13(15)7-12(11)20-2/h7,9-10H,3-6,8H2,1-2H3,(H2,15,16)(H,17,19)

InChIKey

OQQHVUURQRSFJD-UHFFFAOYSA-N

Compound name

6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.1743 Da
Monoisotopic Mass: 0.7
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]+	279.181576	166.0
[M+Na]+	301.163518	171.3
[M-H]-	277.167024	169.4
[M+NH4]+	296.208123	180.3
[M+K]+	317.137458	168.4
[M+H-H2O]+	261.171560	156.9
[M+HCOO]-	323.172501	186.7
[M+CH3COO]-	337.188151	204.3
[M+Na-2H]-	299.148966	166.3
[M]+	278.17375142	164.2
[M]-	278.17484858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.