CID 63313

Brn 5635212

Structural Information

Molecular Formula
C18H12Br2N4O2
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CC3=NN=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C18H12Br2N4O2/c1-10-21-16-13(7-12(19)8-14(16)20)18(25)24(10)9-15-22-23-17(26-15)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey
DUYAZRARKGEOKA-UHFFFAOYSA-N
Compound name
6,8-dibromo-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

473.9327 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.93998 175.6
[M+Na]+ 496.92192 188.7
[M-H]- 472.92542 185.5
[M+NH4]+ 491.96652 186.5
[M+K]+ 512.89586 174.7
[M+H-H2O]+ 456.92996 182.3
[M+HCOO]- 518.93090 189.2
[M+CH3COO]- 532.94655 188.1
[M+Na-2H]- 494.90737 181.4
[M]+ 473.93215 213.8
[M]- 473.93325 213.8
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.