CID 331820

(5-amino-3-triazolo[1,5-a]quinazolinyl)-(4-morpholinyl)methanone

Structural Information

Molecular Formula
C14H14N6O2
SMILES
C1COCCN1C(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)N
InChI
InChI=1S/C14H14N6O2/c15-12-9-3-1-2-4-10(9)20-13(16-12)11(17-18-20)14(21)19-5-7-22-8-6-19/h1-4H,5-8H2,(H2,15,16)
InChIKey
BOKJRPZPDJRUTN-UHFFFAOYSA-N
Compound name
(5-aminotriazolo[1,5-a]quinazolin-3-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

298.11783 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.125106 168.1
[M+Na]+ 321.107048 177.3
[M-H]- 297.110554 170.5
[M+NH4]+ 316.151653 178.0
[M+K]+ 337.080988 172.8
[M+H-H2O]+ 281.115090 157.0
[M+HCOO]- 343.116031 182.1
[M+CH3COO]- 357.131681 177.7
[M+Na-2H]- 319.092496 173.5
[M]+ 298.11728142 166.8
[M]- 298.11837858 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.