CID 43616346

N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide

Structural Information

Molecular Formula
C9H11N3O
SMILES
CC1=CC(=NC(=N1)NC(=O)C=C)C
InChI
InChI=1S/C9H11N3O/c1-4-8(13)12-9-10-6(2)5-7(3)11-9/h4-5H,1H2,2-3H3,(H,10,11,12,13)
InChIKey
JQXNDJCGNFXPDK-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.097486 138.0
[M+Na]+ 200.079428 147.0
[M-H]- 176.082934 139.5
[M+NH4]+ 195.124033 155.7
[M+K]+ 216.053368 144.5
[M+H-H2O]+ 160.087470 130.8
[M+HCOO]- 222.088411 160.7
[M+CH3COO]- 236.104061 184.2
[M+Na-2H]- 198.064876 144.1
[M]+ 177.08966142 138.4
[M]- 177.09075858 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.