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 181.3
[M+Na]+ 526.93249 194.2
[M-H]- 502.93599 191.3
[M+NH4]+ 521.97709 191.2
[M+K]+ 542.90643 180.7
[M+H-H2O]+ 486.94053 187.6
[M+HCOO]- 548.94147 194.6
[M+CH3COO]- 562.95712 193.5
[M+Na-2H]- 524.91794 186.1
[M]+ 503.94272 220.9
[M]- 503.94382 220.9
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.