CID 86196820

Dtxsid501021440

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CC1=CC(=NC(=N1)NC2=CC=CC=C2)CC(CO)O
InChI
InChI=1S/C14H17N3O2/c1-10-7-12(8-13(19)9-18)17-14(15-10)16-11-5-3-2-4-6-11/h2-7,13,18-19H,8-9H2,1H3,(H,15,16,17)
InChIKey
WKVZPDPQDCVLLR-UHFFFAOYSA-N
Compound name
3-(2-anilino-6-methylpyrimidin-4-yl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.139356 159.9
[M+Na]+ 282.121298 166.2
[M-H]- 258.124804 161.3
[M+NH4]+ 277.165903 172.2
[M+K]+ 298.095238 161.7
[M+H-H2O]+ 242.129340 151.0
[M+HCOO]- 304.130281 179.1
[M+CH3COO]- 318.145931 194.6
[M+Na-2H]- 280.106746 165.1
[M]+ 259.13153142 158.6
[M]- 259.13262858 158.6
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.