CID 88751425

2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethan-1-ol

Structural Information

Molecular Formula
C12H12ClN3O
SMILES
C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)NCCO
InChI
InChI=1S/C12H12ClN3O/c13-10-8-11(14-6-7-17)16-12(15-10)9-4-2-1-3-5-9/h1-5,8,17H,6-7H2,(H,14,15,16)
InChIKey
JSVYQZUYWRFMHV-UHFFFAOYSA-N
Compound name
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

249.0669 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.074176 153.1
[M+Na]+ 272.056118 161.8
[M-H]- 248.059624 155.7
[M+NH4]+ 267.100723 167.5
[M+K]+ 288.030058 155.8
[M+H-H2O]+ 232.064160 144.8
[M+HCOO]- 294.065101 170.5
[M+CH3COO]- 308.080751 191.8
[M+Na-2H]- 270.041566 160.4
[M]+ 249.06635142 154.1
[M]- 249.06744858 154.1
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

patents stripe