CID 64044

Brn 5646495

Structural Information

Molecular Formula
C18H12Br2N4O3
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CC3=NN=C(O3)C4=CC=C(C=C4)O
InChI
InChI=1S/C18H12Br2N4O3/c1-9-21-16-13(6-11(19)7-14(16)20)18(26)24(9)8-15-22-23-17(27-15)10-2-4-12(25)5-3-10/h2-7,25H,8H2,1H3
InChIKey
SZSIUOGXHAGCEV-UHFFFAOYSA-N
Compound name
6,8-dibromo-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

489.9276 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.93488 178.1
[M+Na]+ 512.91682 190.9
[M-H]- 488.92032 187.2
[M+NH4]+ 507.96142 187.9
[M+K]+ 528.89076 176.8
[M+H-H2O]+ 472.92486 184.6
[M+HCOO]- 534.92580 190.5
[M+CH3COO]- 548.94145 190.1
[M+Na-2H]- 510.90227 183.0
[M]+ 489.92705 216.2
[M]- 489.92815 216.2
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.