CID 3074866

165611-01-8

Structural Information

Molecular Formula
C13H9ClN4O2
SMILES
C1=CC=C(C=C1)C2=NC(=NC3=C2ON=C3C(=O)N)CCl
InChI
InChI=1S/C13H9ClN4O2/c14-6-8-16-9(7-4-2-1-3-5-7)12-10(17-8)11(13(15)19)18-20-12/h1-5H,6H2,(H2,15,19)
InChIKey
RGVSDDJPKBSZEO-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-7-phenyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0414 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04868 162.2
[M+Na]+ 311.03062 174.1
[M-H]- 287.03412 167.1
[M+NH4]+ 306.07522 175.6
[M+K]+ 327.00456 169.1
[M+H-H2O]+ 271.03866 153.2
[M+HCOO]- 333.03960 179.1
[M+CH3COO]- 347.05525 174.4
[M+Na-2H]- 309.01607 168.0
[M]+ 288.04085 167.1
[M]- 288.04195 167.1
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.