CID 63959

Brn 5640931

Structural Information

Molecular Formula
C19H14Br2N4O2
SMILES
CC1=CC=C(C=C1)C2=NN=C(O2)CN3C(=NC4=C(C3=O)C=C(C=C4Br)Br)C
InChI
InChI=1S/C19H14Br2N4O2/c1-10-3-5-12(6-4-10)18-24-23-16(27-18)9-25-11(2)22-17-14(19(25)26)7-13(20)8-15(17)21/h3-8H,9H2,1-2H3
InChIKey
JDTDNLBIRMUVKC-UHFFFAOYSA-N
Compound name
6,8-dibromo-2-methyl-3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.94836 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.95564 191.9
[M+Na]+ 510.93758 190.2
[M+NH4]+ 505.98218 192.6
[M+K]+ 526.91152 195.7
[M-H]- 486.94108 194.6
[M+Na-2H]- 508.92303 193.4
[M]+ 487.94781 191.6
[M]- 487.94891 191.6
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.