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]+ 250.07418 153.1
[M+Na]+ 272.05612 161.8
[M-H]- 248.05962 155.7
[M+NH4]+ 267.10072 167.5
[M+K]+ 288.03006 155.8
[M+H-H2O]+ 232.06416 144.8
[M+HCOO]- 294.06510 170.5
[M+CH3COO]- 308.08075 191.8
[M+Na-2H]- 270.04157 160.4
[M]+ 249.06635 154.1
[M]- 249.06745 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