CID 3050140

Brn 0819707

Structural Information

Molecular Formula
C11H13N5O2
SMILES
COC1=CC(=CNC1=O)CC2=CN=C(N=C2N)N
InChI
InChI=1S/C11H13N5O2/c1-18-8-3-6(4-14-10(8)17)2-7-5-15-11(13)16-9(7)12/h3-5H,2H2,1H3,(H,14,17)(H4,12,13,15,16)
InChIKey
OISSHKSLLJWEQB-UHFFFAOYSA-N
Compound name
5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxy-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.10692 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 156.2
[M+Na]+ 270.09614 166.0
[M-H]- 246.09964 157.9
[M+NH4]+ 265.14074 168.1
[M+K]+ 286.07008 160.8
[M+H-H2O]+ 230.10418 147.0
[M+HCOO]- 292.10512 177.5
[M+CH3COO]- 306.12077 196.0
[M+Na-2H]- 268.08159 161.4
[M]+ 247.10637 154.3
[M]- 247.10747 154.3
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.