CID 63658

Brn 5621585

Structural Information

Molecular Formula
C19H16N4O2
SMILES
CC1=CC=C(C=C1)C2=NN=C(O2)CN3C(=NC4=CC=CC=C4C3=O)C
InChI
InChI=1S/C19H16N4O2/c1-12-7-9-14(10-8-12)18-22-21-17(25-18)11-23-13(2)20-16-6-4-3-5-15(16)19(23)24/h3-10H,11H2,1-2H3
InChIKey
OFQMORBOXOZGHX-UHFFFAOYSA-N
Compound name
2-methyl-3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12732 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13460 180.4
[M+Na]+ 355.11654 193.2
[M-H]- 331.12004 187.9
[M+NH4]+ 350.16114 190.3
[M+K]+ 371.09048 187.1
[M+H-H2O]+ 315.12458 168.9
[M+HCOO]- 377.12552 200.1
[M+CH3COO]- 391.14117 191.9
[M+Na-2H]- 353.10199 185.1
[M]+ 332.12677 185.8
[M]- 332.12787 185.8
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.