CID 3055412

72412-31-8

Structural Information

Molecular Formula

C₁₄H₂₂N₄O₂

SMILES

CCN1CCC[C@H]1CNC(=O)C2=CN=C(N=C2OC)C

InChI

InChI=1S/C14H22N4O2/c1-4-18-7-5-6-11(18)8-16-13(19)12-9-15-10(2)17-14(12)20-3/h9,11H,4-8H2,1-3H3,(H,16,19)/t11-/m0/s1

InChIKey

YCQMGHOYAMJGJR-NSHDSACASA-N

Compound name

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methoxy-2-methylpyrimidine-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 278.1743 Da
Monoisotopic Mass: 1.1
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]+	279.181576	166.9
[M+Na]+	301.163518	173.1
[M-H]-	277.167024	169.4
[M+NH4]+	296.208123	180.5
[M+K]+	317.137458	170.3
[M+H-H2O]+	261.171560	157.3
[M+HCOO]-	323.172501	185.8
[M+CH3COO]-	337.188151	202.6
[M+Na-2H]-	299.148966	167.5
[M]+	278.17375142	167.3
[M]-	278.17484858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.