CID 3074870

4,5,6,7-tetrahydro-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C18H16N4O2
SMILES
C1NC2=C(C(N1C3=CC=CC=C3)C4=CC=CC=C4)ON=C2C(=O)N
InChI
InChI=1S/C18H16N4O2/c19-18(23)15-14-17(24-21-15)16(12-7-3-1-4-8-12)22(11-20-14)13-9-5-2-6-10-13/h1-10,16,20H,11H2,(H2,19,23)
InChIKey
GQGPRLSWFWAKRH-UHFFFAOYSA-N
Compound name
6,7-diphenyl-5,7-dihydro-4H-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.12732 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13460 174.2
[M+Na]+ 343.11654 181.0
[M-H]- 319.12004 179.8
[M+NH4]+ 338.16114 183.8
[M+K]+ 359.09048 175.6
[M+H-H2O]+ 303.12458 163.7
[M+HCOO]- 365.12552 189.7
[M+CH3COO]- 379.14117 183.4
[M+Na-2H]- 341.10199 177.0
[M]+ 320.12677 170.2
[M]- 320.12787 170.2
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.