CID 3033912

Brn 5647229

Structural Information

Molecular Formula
C18H11Br2ClN4O2
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CC3=NN=C(O3)C4=CC=CC=C4Cl
InChI
InChI=1S/C18H11Br2ClN4O2/c1-9-22-16-12(6-10(19)7-13(16)20)18(26)25(9)8-15-23-24-17(27-15)11-4-2-3-5-14(11)21/h2-7H,8H2,1H3
InChIKey
KCFIRXBXSJTEST-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-[[5-(2-chlorophenyl)-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

507.89374 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.90102 180.0
[M+Na]+ 530.88296 194.6
[M-H]- 506.88646 189.9
[M+NH4]+ 525.92756 190.7
[M+K]+ 546.85690 179.4
[M+H-H2O]+ 490.89100 186.6
[M+HCOO]- 552.89194 189.7
[M+CH3COO]- 566.90759 192.4
[M+Na-2H]- 528.86841 184.9
[M]+ 507.89319 220.0
[M]- 507.89429 220.0
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.