CID 185602

Desmethyl-formamido-pirimicarb

Structural Information

Molecular Formula

C₁₁H₁₆N₄O₃

SMILES

CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C=O)C

InChI

InChI=1S/C11H16N4O3/c1-7-8(2)12-10(15(5)6-16)13-9(7)18-11(17)14(3)4/h6H,1-5H3

InChIKey

GDEAMEURJBBCOQ-UHFFFAOYSA-N

Compound name

[2-[formyl(methyl)amino]-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 12
Patents: 252.12224 Da
Monoisotopic Mass: 0.9
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]+	253.12952	156.2
[M+Na]+	275.11146	166.6
[M+NH4]+	270.15606	161.4
[M+K]+	291.08540	163.3
[M-H]-	251.11496	156.8
[M+Na-2H]-	273.09691	160.8
[M]+	252.12169	157.5
[M]-	252.12279	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe