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
4
Annotation Hits

0
References

12
Patents

252.12224 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12952 155.9
[M+Na]+ 275.11146 164.2
[M-H]- 251.11496 160.5
[M+NH4]+ 270.15606 171.6
[M+K]+ 291.08540 165.1
[M+H-H2O]+ 235.11950 147.5
[M+HCOO]- 297.12044 180.4
[M+CH3COO]- 311.13609 207.1
[M+Na-2H]- 273.09691 159.3
[M]+ 252.12169 161.9
[M]- 252.12279 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe