CID 17325

Pyramat

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₂

SMILES

CCCC1=NC(=CC(=N1)OC(=O)N(C)C)C

InChI

InChI=1S/C11H17N3O2/c1-5-6-9-12-8(2)7-10(13-9)16-11(15)14(3)4/h7H,5-6H2,1-4H3

InChIKey

CQRUIYKYVFQBRT-UHFFFAOYSA-N

Compound name

(6-methyl-2-propylpyrimidin-4-yl) N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 793
Patents: 223.13208 Da
Monoisotopic Mass: 1.9
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]+	224.139356	151.0
[M+Na]+	246.121298	159.0
[M-H]-	222.124804	153.7
[M+NH4]+	241.165903	167.5
[M+K]+	262.095238	158.5
[M+H-H2O]+	206.129340	143.0
[M+HCOO]-	268.130281	173.6
[M+CH3COO]-	282.145931	196.1
[M+Na-2H]-	244.106746	155.3
[M]+	223.13153142	155.4
[M]-	223.13262858	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe