CID 62771888

1342643-17-7

Structural Information

Molecular Formula
C11H10N4O
SMILES
CC1=NC(=NC=C1C(=O)C)C2=NC=CC=N2
InChI
InChI=1S/C11H10N4O/c1-7-9(8(2)16)6-14-11(15-7)10-12-4-3-5-13-10/h3-6H,1-2H3
InChIKey
DAJQKLUVCLMCPC-UHFFFAOYSA-N
Compound name
1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.08546 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09274 147.6
[M+Na]+ 237.07468 157.5
[M-H]- 213.07818 149.4
[M+NH4]+ 232.11928 160.6
[M+K]+ 253.04862 153.6
[M+H-H2O]+ 197.08272 137.7
[M+HCOO]- 259.08366 166.9
[M+CH3COO]- 273.09931 188.5
[M+Na-2H]- 235.06013 154.8
[M]+ 214.08491 148.4
[M]- 214.08601 148.4
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.