CID 3055408

Brn 0813629

Structural Information

Molecular Formula

C₁₄H₂₃N₅O₂

SMILES

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

InChI

InChI=1S/C14H23N5O2/c1-4-19-7-5-6-10(19)8-16-12(20)11-9-17-14(15-2)18-13(11)21-3/h9-10H,4-8H2,1-3H3,(H,16,20)(H,15,17,18)

InChIKey

FBFPGCHGRRYSGL-UHFFFAOYSA-N

Compound name

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 293.18518 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]+	294.192456	169.9
[M+Na]+	316.174398	175.2
[M-H]-	292.177904	172.5
[M+NH4]+	311.219003	182.5
[M+K]+	332.148338	172.4
[M+H-H2O]+	276.182440	159.9
[M+HCOO]-	338.183381	189.9
[M+CH3COO]-	352.199031	207.7
[M+Na-2H]-	314.159846	171.3
[M]+	293.18463142	169.6
[M]-	293.18572858	169.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe