CID 63956

Brn 5614194

Structural Information

Molecular Formula
C18H14N4O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CC3=NN=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C18H14N4O2/c1-12-19-15-10-6-5-9-14(15)18(23)22(12)11-16-20-21-17(24-16)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKey
ZAYVFPTYHSJLCF-UHFFFAOYSA-N
Compound name
2-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.11166 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11894 174.8
[M+Na]+ 341.10088 187.2
[M-H]- 317.10438 182.2
[M+NH4]+ 336.14548 185.0
[M+K]+ 357.07482 181.4
[M+H-H2O]+ 301.10892 163.4
[M+HCOO]- 363.10986 194.9
[M+CH3COO]- 377.12551 186.5
[M+Na-2H]- 339.08633 180.9
[M]+ 318.11111 179.5
[M]- 318.11221 179.5
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.