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]+ 215.092736 147.6
[M+Na]+ 237.074678 157.5
[M-H]- 213.078184 149.4
[M+NH4]+ 232.119283 160.6
[M+K]+ 253.048618 153.6
[M+H-H2O]+ 197.082720 137.7
[M+HCOO]- 259.083661 166.9
[M+CH3COO]- 273.099311 188.5
[M+Na-2H]- 235.060126 154.8
[M]+ 214.08491142 148.4
[M]- 214.08600858 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.