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]+ 260.13936 159.9
[M+Na]+ 282.12130 166.2
[M-H]- 258.12480 161.3
[M+NH4]+ 277.16590 172.2
[M+K]+ 298.09524 161.7
[M+H-H2O]+ 242.12934 151.0
[M+HCOO]- 304.13028 179.1
[M+CH3COO]- 318.14593 194.6
[M+Na-2H]- 280.10675 165.1
[M]+ 259.13153 158.6
[M]- 259.13263 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.