CID 11345983

Cardiogenol c

Structural Information

Molecular Formula
C13H16N4O2
SMILES
COC1=CC=C(C=C1)NC2=NC=CC(=N2)NCCO
InChI
InChI=1S/C13H16N4O2/c1-19-11-4-2-10(3-5-11)16-13-15-7-6-12(17-13)14-8-9-18/h2-7,18H,8-9H2,1H3,(H2,14,15,16,17)
InChIKey
LKBSMPFEKIBRGC-UHFFFAOYSA-N
Compound name
2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

220
Patents

260.12732 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13460 159.4
[M+Na]+ 283.11654 171.7
[M+NH4]+ 278.16114 165.9
[M+K]+ 299.09048 165.3
[M-H]- 259.12004 162.8
[M+Na-2H]- 281.10199 167.7
[M]+ 260.12677 161.8
[M]- 260.12787 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe