CID 117231350

2225146-07-4

Structural Information

Molecular Formula
C14H15N3O
SMILES
C1C(CN1)C2=NC=C(C=N2)OCC3=CC=CC=C3
InChI
InChI=1S/C14H15N3O/c1-2-4-11(5-3-1)10-18-13-8-16-14(17-9-13)12-6-15-7-12/h1-5,8-9,12,15H,6-7,10H2
InChIKey
HUCLTYASQUVMAY-UHFFFAOYSA-N
Compound name
2-(azetidin-3-yl)-5-phenylmethoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 151.5
[M+Na]+ 264.11072 157.3
[M-H]- 240.11422 154.9
[M+NH4]+ 259.15532 157.4
[M+K]+ 280.08466 155.6
[M+H-H2O]+ 224.11876 136.0
[M+HCOO]- 286.11970 168.8
[M+CH3COO]- 300.13535 161.6
[M+Na-2H]- 262.09617 158.2
[M]+ 241.12095 157.6
[M]- 241.12205 157.6
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.