CID 25247716

1018053-24-1

Structural Information

Molecular Formula
C12H8ClN3O
SMILES
CC1=CC=CC=C1C2=NC3=C(O2)N=CN=C3Cl
InChI
InChI=1S/C12H8ClN3O/c1-7-4-2-3-5-8(7)11-16-9-10(13)14-6-15-12(9)17-11/h2-6H,1H3
InChIKey
SYZDSXNEVPKMST-UHFFFAOYSA-N
Compound name
7-chloro-2-(2-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.03558 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04286 150.8
[M+Na]+ 268.02480 164.3
[M-H]- 244.02830 156.0
[M+NH4]+ 263.06940 166.8
[M+K]+ 283.99874 159.4
[M+H-H2O]+ 228.03284 142.1
[M+HCOO]- 290.03378 168.2
[M+CH3COO]- 304.04943 164.5
[M+Na-2H]- 266.01025 158.5
[M]+ 245.03503 156.7
[M]- 245.03613 156.7
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.