CID 13362229

Sr 41590

Structural Information

Molecular Formula
C14H16ClN3O2
SMILES
C1=CC(=CC=C1C2=NC(=NC=C2)N(CCO)CCO)Cl
InChI
InChI=1S/C14H16ClN3O2/c15-12-3-1-11(2-4-12)13-5-6-16-14(17-13)18(7-9-19)8-10-20/h1-6,19-20H,7-10H2
InChIKey
YSKAIGNAAYZAOK-UHFFFAOYSA-N
Compound name
2-[[4-(4-chlorophenyl)pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0931 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10038 166.0
[M+Na]+ 316.08232 179.9
[M+NH4]+ 311.12692 173.0
[M+K]+ 332.05626 172.7
[M-H]- 292.08582 169.0
[M+Na-2H]- 314.06777 174.2
[M]+ 293.09255 169.0
[M]- 293.09365 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.