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 164.7
[M+Na]+ 316.08232 172.1
[M-H]- 292.08582 167.1
[M+NH4]+ 311.12692 177.1
[M+K]+ 332.05626 166.8
[M+H-H2O]+ 276.09036 156.0
[M+HCOO]- 338.09130 180.7
[M+CH3COO]- 352.10695 200.7
[M+Na-2H]- 314.06777 169.9
[M]+ 293.09255 167.3
[M]- 293.09365 167.3
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.