CID 749408

1255717-95-3

Structural Information

Molecular Formula
C15H18N4O
SMILES
CC1=CC(=NC(=N1)C2=CC=CC=C2O)N3CCNCC3
InChI
InChI=1S/C15H18N4O/c1-11-10-14(19-8-6-16-7-9-19)18-15(17-11)12-4-2-3-5-13(12)20/h2-5,10,16,20H,6-9H2,1H3
InChIKey
LSBFDECOGCIELU-UHFFFAOYSA-N
Compound name
2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

270.14807 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15535 166.0
[M+Na]+ 293.13729 180.6
[M+NH4]+ 288.18189 172.8
[M+K]+ 309.11123 173.4
[M-H]- 269.14079 169.6
[M+Na-2H]- 291.12274 174.6
[M]+ 270.14752 169.0
[M]- 270.14862 169.0
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