CID 165362805

Dtxsid901021466

Structural Information

Molecular Formula
C14H17N3O3
SMILES
CC1=CC(=NC(=N1)NC2=CC=C(C=C2)O)CC(CO)O
InChI
InChI=1S/C14H17N3O3/c1-9-6-11(7-13(20)8-18)17-14(15-9)16-10-2-4-12(19)5-3-10/h2-6,13,18-20H,7-8H2,1H3,(H,15,16,17)
InChIKey
ZZNKMAMJVMBHSI-UHFFFAOYSA-N
Compound name
3-[2-(4-hydroxyanilino)-6-methylpyrimidin-4-yl]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

275.12698 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13426 163.5
[M+Na]+ 298.11620 170.1
[M-H]- 274.11970 163.9
[M+NH4]+ 293.16080 174.6
[M+K]+ 314.09014 165.4
[M+H-H2O]+ 258.12424 154.8
[M+HCOO]- 320.12518 181.3
[M+CH3COO]- 334.14083 195.8
[M+Na-2H]- 296.10165 167.4
[M]+ 275.12643 162.1
[M]- 275.12753 162.1
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.