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]+ 242.128776 151.5
[M+Na]+ 264.110718 157.3
[M-H]- 240.114224 154.9
[M+NH4]+ 259.155323 157.4
[M+K]+ 280.084658 155.6
[M+H-H2O]+ 224.118760 136.0
[M+HCOO]- 286.119701 168.8
[M+CH3COO]- 300.135351 161.6
[M+Na-2H]- 262.096166 158.2
[M]+ 241.12095142 157.6
[M]- 241.12204858 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.