CID 214922

3-cyclohexyl-2-methyl-4(3h)-pteridinone

Structural Information

Molecular Formula
C13H16N4O
SMILES
CC1=NC2=NC=CN=C2C(=O)N1C3CCCCC3
InChI
InChI=1S/C13H16N4O/c1-9-16-12-11(14-7-8-15-12)13(18)17(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKey
AXGWENQUODTRRH-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2-methylpteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.13242 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13970 158.2
[M+Na]+ 267.12164 166.6
[M-H]- 243.12514 159.9
[M+NH4]+ 262.16624 170.9
[M+K]+ 283.09558 161.6
[M+H-H2O]+ 227.12968 147.3
[M+HCOO]- 289.13062 173.1
[M+CH3COO]- 303.14627 168.5
[M+Na-2H]- 265.10709 164.4
[M]+ 244.13187 155.1
[M]- 244.13297 155.1
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.