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: 821
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]+	224.13936	150.9
[M+Na]+	246.12130	162.5
[M+NH4]+	241.16590	157.3
[M+K]+	262.09524	157.5
[M-H]-	222.12480	151.7
[M+Na-2H]-	244.10675	156.3
[M]+	223.13153	152.6
[M]-	223.13263	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe