CID 214922

34594-42-8

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]+ 245.139696 158.2
[M+Na]+ 267.121638 166.6
[M-H]- 243.125144 159.9
[M+NH4]+ 262.166243 170.9
[M+K]+ 283.095578 161.6
[M+H-H2O]+ 227.129680 147.3
[M+HCOO]- 289.130621 173.1
[M+CH3COO]- 303.146271 168.5
[M+Na-2H]- 265.107086 164.4
[M]+ 244.13187142 155.1
[M]- 244.13296858 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.