CID 63957

Brn 5627812

Structural Information

Molecular Formula
C18H14N4O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CC3=NN=C(O3)C4=CC=C(C=C4)O
InChI
InChI=1S/C18H14N4O3/c1-11-19-15-5-3-2-4-14(15)18(24)22(11)10-16-20-21-17(25-16)12-6-8-13(23)9-7-12/h2-9,23H,10H2,1H3
InChIKey
VNCBFDKDDHBHPW-UHFFFAOYSA-N
Compound name
3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1066 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11388 177.5
[M+Na]+ 357.09582 195.8
[M+NH4]+ 352.14042 183.8
[M+K]+ 373.06976 190.4
[M-H]- 333.09932 182.9
[M+Na-2H]- 355.08127 186.7
[M]+ 334.10605 181.8
[M]- 334.10715 181.8
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.