CID 63960

Brn 5647689

Structural Information

Molecular Formula
C19H14Br2N4O3
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CC3=NN=C(O3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C19H14Br2N4O3/c1-10-22-17-14(7-12(20)8-15(17)21)19(26)25(10)9-16-23-24-18(28-16)11-3-5-13(27-2)6-4-11/h3-8H,9H2,1-2H3
InChIKey
XCAWMJKUIWTDHR-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-[[5-(4-methoxyphenyl)-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

503.94327 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.95055 194.8
[M+Na]+ 526.93249 192.9
[M+NH4]+ 521.97709 195.2
[M+K]+ 542.90643 198.5
[M-H]- 502.93599 197.3
[M+Na-2H]- 524.91794 196.0
[M]+ 503.94272 194.4
[M]- 503.94382 194.4
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.